tert-butyl N-[4-(2-morpholin-4-ylethylamino)-4-oxobutyl]carbamate

C15H29N3O4 — CID 51218991

IUPACtert-butyl N-[4-(2-morpholin-4-ylethylamino)-4-oxobutyl]carbamate
SMILESCC(C)(C)OC(=O)NCCCC(=O)NCCN1CCOCC1
InChIInChI=1S/C15H29N3O4/c1-15(2,3)22-14(20)17-6-4-5-13(19)16-7-8-18-9-11-21-12-10-18/h4-12H2,1-3H3,(H,16,19)(H,17,20)
InChIKeyQLZVOBSKDODUQR-UHFFFAOYSA-N
MW315.41 g/mol
LogP0.74
Rot. Bonds7

About tert-butyl N-[4-(2-morpholin-4-ylethylamino)-4-oxobutyl]carbamate

tert-butyl N-[4-(2-morpholin-4-ylethylamino)-4-oxobutyl]carbamate (PubChem CID 51218991) has the molecular formula C15H29N3O4 and a molecular weight of 315.41 g/mol. Its IUPAC name is tert-butyl N-[4-(2-morpholin-4-ylethylamino)-4-oxobutyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[4-(2-morpholin-4-ylethylamino)-4-oxobutyl]carbamate
PubChem CID51218991
Molecular FormulaC15H29N3O4
Molecular Weight315.41 g/mol
Exact Mass315.22
IUPAC Nametert-butyl N-[4-(2-morpholin-4-ylethylamino)-4-oxobutyl]carbamate
SMILESCC(C)(C)OC(=O)NCCCC(=O)NCCN1CCOCC1
InChIInChI=1S/C15H29N3O4/c1-15(2,3)22-14(20)17-6-4-5-13(19)16-7-8-18-9-11-21-12-10-18/h4-12H2,1-3H3,(H,16,19)(H,17,20)
InChIKeyQLZVOBSKDODUQR-UHFFFAOYSA-N
XLogP0.74
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.41
LogP ≤ 50.74
H-Bond Donors ≤ 52
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-[4-(ethoxycarbonylamino)butanoylamino]ethyl]carbamate
CID 155562992
tert-Butyl (2-morpholino-2-oxoethyl)carbamate
CID 10538259
tert-butyl N-(2-{[2-(morpholin-4-yl)ethyl]amino}ethyl)carbamate
CID 19420463
tert-butyl N-[4-oxo-4-(piperazin-1-yl)butyl]carbamate
CID 50986503
tert-butyl N-{2-[2-(piperazin-1-yl)ethoxy]ethyl}carbamate
CID 156808279
Tert-butyl 4-[2-[(2-ethoxyacetyl)amino]ethyl]piperazine-1-carboxylate
CID 49677074
tert-butyl N-[2-methyl-1-[(1-morpholin-4-yl-1-oxopropan-2-yl)amino]-1-oxopropan-2-yl]carbamate
CID 71883192
N-(2-morpholin-4-ylethyl)butanamide
CID 4253127
Tert-butyl 4-[(2-methoxyethyl)carbamoyl]piperidine-1-carboxylate
CID 5188250
tert-butyl N-[4-[4-[4-[(2-methylpropan-2-yl)oxycarbonylamino]butanoyl]piperazin-1-yl]-4-oxobutyl]carbamate
CID 10647474
tert-butyl N-[(2S)-3-methyl-1-morpholin-4-yl-1-oxobutan-2-yl]carbamate
CID 10869892
tert-butyl 2-[(3S)-3-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-2-oxopiperazin-1-yl]acetate
CID 11783268

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[4-(2-morpholin-4-ylethylamino)-4-oxobutyl]carbamate?
The IUPAC name of tert-butyl N-[4-(2-morpholin-4-ylethylamino)-4-oxobutyl]carbamate (CID 51218991) is tert-butyl N-[4-(2-morpholin-4-ylethylamino)-4-oxobutyl]carbamate.
What is the SMILES notation for tert-butyl N-[4-(2-morpholin-4-ylethylamino)-4-oxobutyl]carbamate?
The canonical SMILES for tert-butyl N-[4-(2-morpholin-4-ylethylamino)-4-oxobutyl]carbamate is CC(C)(C)OC(=O)NCCCC(=O)NCCN1CCOCC1.
What is the InChIKey of tert-butyl N-[4-(2-morpholin-4-ylethylamino)-4-oxobutyl]carbamate?
The InChIKey is QLZVOBSKDODUQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3O4/c1-15(2,3)22-14(20)17-6-4-5-13(19)16-7-8-18-9-11-21-12-10-18/h4-12H2,1-3H3,(H,16,19)(H,17,20).
What are the key properties of tert-butyl N-[4-(2-morpholin-4-ylethylamino)-4-oxobutyl]carbamate?
tert-butyl N-[4-(2-morpholin-4-ylethylamino)-4-oxobutyl]carbamate has a molecular weight of 315.41 g/mol, XLogP of 0.74, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[4-(2-morpholin-4-ylethylamino)-4-oxobutyl]carbamate is sourced from PubChem (CID 51218991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).