tert-butyl N-[N'-[3-(methylamino)-3-oxopropyl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamimidoyl]carbamate

C15H28N4O5 — CID 54278757

IUPACtert-butyl N-[N'-[3-(methylamino)-3-oxopropyl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamimidoyl]carbamate
SMILESCNC(=O)CCN=C(NC(=O)OC(C)(C)C)NC(=O)OC(C)(C)C
InChIInChI=1S/C15H28N4O5/c1-14(2,3)23-12(21)18-11(17-9-8-10(20)16-7)19-13(22)24-15(4,5)6/h8-9H2,1-7H3,(H,16,20)(H2,17,18,19,21,22)
InChIKeyMUORWEAEIOOSDF-UHFFFAOYSA-N
MW344.41 g/mol
LogP1.53
Rot. Bonds3

About tert-butyl N-[N'-[3-(methylamino)-3-oxopropyl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamimidoyl]carbamate

tert-butyl N-[N'-[3-(methylamino)-3-oxopropyl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamimidoyl]carbamate (PubChem CID 54278757) has the molecular formula C15H28N4O5 and a molecular weight of 344.41 g/mol. Its IUPAC name is tert-butyl N-[N'-[3-(methylamino)-3-oxopropyl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamimidoyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[N'-[3-(methylamino)-3-oxopropyl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamimidoyl]carbamate
PubChem CID54278757
Molecular FormulaC15H28N4O5
Molecular Weight344.41 g/mol
Exact Mass344.21
IUPAC Nametert-butyl N-[N'-[3-(methylamino)-3-oxopropyl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamimidoyl]carbamate
SMILESCNC(=O)CCN=C(NC(=O)OC(C)(C)C)NC(=O)OC(C)(C)C
InChIInChI=1S/C15H28N4O5/c1-14(2,3)23-12(21)18-11(17-9-8-10(20)16-7)19-13(22)24-15(4,5)6/h8-9H2,1-7H3,(H,16,20)(H2,17,18,19,21,22)
InChIKeyMUORWEAEIOOSDF-UHFFFAOYSA-N
XLogP1.53
TPSA118.12 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.41
LogP ≤ 51.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze tert-butyl N-[N'-[3-(methylamino)-3-oxopropyl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamimidoyl]carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Carbamic acid, N,N inverted exclamation marka-[(3-aminopropyl)carbonimidoyl]bis-, C,C inverted exclamation marka-bis(1,1-dimethylethyl) ester
CID 10519491
tert-butyl N-[N-[(2-methylpropan-2-yl)oxycarbonyl]-N'-[3-[(2,2,2-trifluoroacetyl)amino]propyl]carbamimidoyl]carbamate
CID 15311265
tert-butyl N-[3-[bis[(2-methylpropan-2-yl)oxycarbonylamino]methylideneamino]propyl]carbamate
CID 15311267
tert-butyl N-[4-[[amino-[(2-methylpropan-2-yl)oxycarbonylamino]methylidene]amino]butyl]carbamate
CID 53825065
tert-butyl N-[N'-[3-(methylamino)-3-oxopropyl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamimidoyl]carbamate;tert-butyl N-[C-methyl-N-[(2-methylpropan-2-yl)oxycarbonyl]carbonimidoyl]carbamate;3-(diaminomethylideneamino)-N-methylpropanamide
CID 54278755
tert-butyl N-[N'-(4-acetamidobutyl)-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamimidoyl]carbamate
CID 58789948
tert-butyl N-[N'-[3-(3-aminopropylamino)propyl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamimidoyl]carbamate
CID 132043390
tert-butyl N-[N'-[3-[3-[bis[(2-methylpropan-2-yl)oxycarbonylamino]methylideneamino]propylamino]propyl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamimidoyl]carbamate
CID 139551234
tert-butyl N-[3-amino-1-[(2-methylpropan-2-yl)oxycarbonylamino]-3-oxopropyl]carbamate
CID 140316116
tert-butyl N-[N-[(2-methylpropan-2-yl)oxycarbonyl]-N'-[4-(propanoylamino)butyl]carbamimidoyl]carbamate
CID 143224705
tert-butyl N-(4-amino-1-methyl-6-oxo-4,5-dihydropyrimidin-2-yl)carbamate
CID 143378144
tert-butyl N-[3-[[amino(methoxy)methylidene]amino]-3-oxopropyl]carbamate
CID 165125174

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[N'-[3-(methylamino)-3-oxopropyl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamimidoyl]carbamate?
The IUPAC name of tert-butyl N-[N'-[3-(methylamino)-3-oxopropyl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamimidoyl]carbamate (CID 54278757) is tert-butyl N-[N'-[3-(methylamino)-3-oxopropyl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamimidoyl]carbamate.
What is the SMILES notation for tert-butyl N-[N'-[3-(methylamino)-3-oxopropyl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamimidoyl]carbamate?
The canonical SMILES for tert-butyl N-[N'-[3-(methylamino)-3-oxopropyl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamimidoyl]carbamate is CNC(=O)CCN=C(NC(=O)OC(C)(C)C)NC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[N'-[3-(methylamino)-3-oxopropyl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamimidoyl]carbamate?
The InChIKey is MUORWEAEIOOSDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N4O5/c1-14(2,3)23-12(21)18-11(17-9-8-10(20)16-7)19-13(22)24-15(4,5)6/h8-9H2,1-7H3,(H,16,20)(H2,17,18,19,21,22).
What are the key properties of tert-butyl N-[N'-[3-(methylamino)-3-oxopropyl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamimidoyl]carbamate?
tert-butyl N-[N'-[3-(methylamino)-3-oxopropyl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamimidoyl]carbamate has a molecular weight of 344.41 g/mol, XLogP of 1.53, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[N'-[3-(methylamino)-3-oxopropyl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamimidoyl]carbamate is sourced from PubChem (CID 54278757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).