tert-butyl N-[2-[[3-(2-methoxyethylamino)-3-oxopropyl]amino]propyl]carbamate

C14H29N3O4 — CID 103390878

IUPACtert-butyl N-[2-[[3-(2-methoxyethylamino)-3-oxopropyl]amino]propyl]carbamate
SMILESCOCCNC(=O)CCNC(C)CNC(=O)OC(C)(C)C
InChIInChI=1S/C14H29N3O4/c1-11(10-17-13(19)21-14(2,3)4)15-7-6-12(18)16-8-9-20-5/h11,15H,6-10H2,1-5H3,(H,16,18)(H,17,19)
InChIKeyWNUBYPVXPHUTHK-UHFFFAOYSA-N
MW303.40 g/mol
LogP0.64
Rot. Bonds9

About tert-butyl N-[2-[[3-(2-methoxyethylamino)-3-oxopropyl]amino]propyl]carbamate

tert-butyl N-[2-[[3-(2-methoxyethylamino)-3-oxopropyl]amino]propyl]carbamate (PubChem CID 103390878) has the molecular formula C14H29N3O4 and a molecular weight of 303.40 g/mol. Its IUPAC name is tert-butyl N-[2-[[3-(2-methoxyethylamino)-3-oxopropyl]amino]propyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-[[3-(2-methoxyethylamino)-3-oxopropyl]amino]propyl]carbamate
PubChem CID103390878
Molecular FormulaC14H29N3O4
Molecular Weight303.40 g/mol
Exact Mass303.22
IUPAC Nametert-butyl N-[2-[[3-(2-methoxyethylamino)-3-oxopropyl]amino]propyl]carbamate
SMILESCOCCNC(=O)CCNC(C)CNC(=O)OC(C)(C)C
InChIInChI=1S/C14H29N3O4/c1-11(10-17-13(19)21-14(2,3)4)15-7-6-12(18)16-8-9-20-5/h11,15H,6-10H2,1-5H3,(H,16,18)(H,17,19)
InChIKeyWNUBYPVXPHUTHK-UHFFFAOYSA-N
XLogP0.64
TPSA88.69 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.40
LogP ≤ 50.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl N-[2-(2-methoxyethylamino)propyl]carbamate
CID 103386968
N-(2-methoxyethyl)-3-[(4-methoxy-4-methylpentan-2-yl)amino]propanamide
CID 113260438
tert-butyl N-[2-[[1-(2-methoxyethylamino)-1-oxopropan-2-yl]amino]propyl]carbamate
CID 103390858
tert-butyl N-[2-[[3-(cyclopropylamino)-3-oxopropyl]amino]propyl]carbamate
CID 103390326
tert-butyl N-[(2S)-2-(ethylamino)propyl]carbamate
CID 59438683
tert-butyl N-[2-[[[2-(2-methoxyethylamino)-2-oxoethyl]amino]methyl]-3-methylbutyl]carbamate
CID 107442662
tert-butyl N-[2-(3,3,3-trifluoropropylamino)propyl]carbamate
CID 103389896
tert-butyl N-[2-[2-(3-methylbutoxy)ethylamino]propyl]carbamate
CID 103389692
tert-butyl N-[2-[(3-oxo-3-pyrrolidin-1-ylpropyl)amino]propyl]carbamate
CID 103387449
tert-butyl N-[2-(2-methylsulfinylethylamino)propyl]carbamate
CID 103390998
N-(2-methoxyethyl)-3-(octan-2-ylamino)propanamide
CID 115712027
tert-butyl N-[2-(2-methylbutylamino)propyl]carbamate
CID 103389833

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-[[3-(2-methoxyethylamino)-3-oxopropyl]amino]propyl]carbamate?
The IUPAC name of tert-butyl N-[2-[[3-(2-methoxyethylamino)-3-oxopropyl]amino]propyl]carbamate (CID 103390878) is tert-butyl N-[2-[[3-(2-methoxyethylamino)-3-oxopropyl]amino]propyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-[[3-(2-methoxyethylamino)-3-oxopropyl]amino]propyl]carbamate?
The canonical SMILES for tert-butyl N-[2-[[3-(2-methoxyethylamino)-3-oxopropyl]amino]propyl]carbamate is COCCNC(=O)CCNC(C)CNC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[2-[[3-(2-methoxyethylamino)-3-oxopropyl]amino]propyl]carbamate?
The InChIKey is WNUBYPVXPHUTHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N3O4/c1-11(10-17-13(19)21-14(2,3)4)15-7-6-12(18)16-8-9-20-5/h11,15H,6-10H2,1-5H3,(H,16,18)(H,17,19).
What are the key properties of tert-butyl N-[2-[[3-(2-methoxyethylamino)-3-oxopropyl]amino]propyl]carbamate?
tert-butyl N-[2-[[3-(2-methoxyethylamino)-3-oxopropyl]amino]propyl]carbamate has a molecular weight of 303.40 g/mol, XLogP of 0.64, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-[[3-(2-methoxyethylamino)-3-oxopropyl]amino]propyl]carbamate is sourced from PubChem (CID 103390878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).