N-cyclopropyl-4-[[2-(1,4-diazepan-1-yl)acetyl]amino]butanamide

C14H26N4O2 — CID 79401234

IUPACN-cyclopropyl-4-[[2-(1,4-diazepan-1-yl)acetyl]amino]butanamide
SMILESO=C(CN1CCCNCC1)NCCCC(=O)NC1CC1
InChIInChI=1S/C14H26N4O2/c19-13(17-12-4-5-12)3-1-7-16-14(20)11-18-9-2-6-15-8-10-18/h12,15H,1-11H2,(H,16,20)(H,17,19)
InChIKeyZWTUYNJMWHOYLJ-UHFFFAOYSA-N
MW282.39 g/mol
LogP-0.54
Rot. Bonds7

About N-cyclopropyl-4-[[2-(1,4-diazepan-1-yl)acetyl]amino]butanamide

N-cyclopropyl-4-[[2-(1,4-diazepan-1-yl)acetyl]amino]butanamide (PubChem CID 79401234) has the molecular formula C14H26N4O2 and a molecular weight of 282.39 g/mol. Its IUPAC name is N-cyclopropyl-4-[[2-(1,4-diazepan-1-yl)acetyl]amino]butanamide.

Molecular Properties

Compound NameN-cyclopropyl-4-[[2-(1,4-diazepan-1-yl)acetyl]amino]butanamide
PubChem CID79401234
Molecular FormulaC14H26N4O2
Molecular Weight282.39 g/mol
Exact Mass282.21
IUPAC NameN-cyclopropyl-4-[[2-(1,4-diazepan-1-yl)acetyl]amino]butanamide
SMILESO=C(CN1CCCNCC1)NCCCC(=O)NC1CC1
InChIInChI=1S/C14H26N4O2/c19-13(17-12-4-5-12)3-1-7-16-14(20)11-18-9-2-6-15-8-10-18/h12,15H,1-11H2,(H,16,20)(H,17,19)
InChIKeyZWTUYNJMWHOYLJ-UHFFFAOYSA-N
XLogP-0.54
TPSA73.47 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.39
LogP ≤ 5-0.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-cyclopropyl-2-[[2-(1,4-diazepan-1-yl)acetyl]amino]acetamide
CID 62839148
5-[[2-(1,4-diazepan-1-yl)acetyl]amino]pentanamide
CID 106235926
2-(1,4-diazepan-1-yl)-N-(5-hydroxypentyl)acetamide
CID 107317788
N-(cyclopropylcarbamoyl)-2-(1,4-diazepan-1-yl)acetamide
CID 43162505
2-(1,4-diazepan-1-yl)-N-[3-(dimethylamino)propyl]acetamide
CID 54773686
2-(1,4-diazepan-1-yl)-N-(3-propoxypropyl)acetamide
CID 82939966
N-cyclohexyl-3-(1,4-diazepan-1-yl)propanamide
CID 43162430
7-[(2-piperazin-1-ylacetyl)amino]heptanoic acid
CID 61158723
N-(cyclopentylcarbamoyl)-2-(1,4-diazepan-1-yl)acetamide
CID 43162551
methyl 3-[[2-(1,4-diazepan-1-yl)acetyl]amino]propanoate
CID 62837481
2-(1,4-diazepan-1-yl)-N-(7-methyloctyl)acetamide
CID 62839599
N-[2-[[2-(1,4-diazepan-1-yl)acetyl]amino]ethyl]-2-methylpropanamide
CID 62839250

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-4-[[2-(1,4-diazepan-1-yl)acetyl]amino]butanamide?
The IUPAC name of N-cyclopropyl-4-[[2-(1,4-diazepan-1-yl)acetyl]amino]butanamide (CID 79401234) is N-cyclopropyl-4-[[2-(1,4-diazepan-1-yl)acetyl]amino]butanamide.
What is the SMILES notation for N-cyclopropyl-4-[[2-(1,4-diazepan-1-yl)acetyl]amino]butanamide?
The canonical SMILES for N-cyclopropyl-4-[[2-(1,4-diazepan-1-yl)acetyl]amino]butanamide is O=C(CN1CCCNCC1)NCCCC(=O)NC1CC1.
What is the InChIKey of N-cyclopropyl-4-[[2-(1,4-diazepan-1-yl)acetyl]amino]butanamide?
The InChIKey is ZWTUYNJMWHOYLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4O2/c19-13(17-12-4-5-12)3-1-7-16-14(20)11-18-9-2-6-15-8-10-18/h12,15H,1-11H2,(H,16,20)(H,17,19).
What are the key properties of N-cyclopropyl-4-[[2-(1,4-diazepan-1-yl)acetyl]amino]butanamide?
N-cyclopropyl-4-[[2-(1,4-diazepan-1-yl)acetyl]amino]butanamide has a molecular weight of 282.39 g/mol, XLogP of -0.54, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-4-[[2-(1,4-diazepan-1-yl)acetyl]amino]butanamide is sourced from PubChem (CID 79401234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).