5-[[2-(1,4-diazepan-1-yl)acetyl]amino]pentanamide

C12H24N4O2 — CID 106235926

IUPAC5-[[2-(1,4-diazepan-1-yl)acetyl]amino]pentanamide
SMILESNC(=O)CCCCNC(=O)CN1CCCNCC1
InChIInChI=1S/C12H24N4O2/c13-11(17)4-1-2-6-15-12(18)10-16-8-3-5-14-7-9-16/h14H,1-10H2,(H2,13,17)(H,15,18)
InChIKeyXBPKVTYBTQCMJE-UHFFFAOYSA-N
MW256.35 g/mol
LogP-0.95
Rot. Bonds7

About 5-[[2-(1,4-diazepan-1-yl)acetyl]amino]pentanamide

5-[[2-(1,4-diazepan-1-yl)acetyl]amino]pentanamide (PubChem CID 106235926) has the molecular formula C12H24N4O2 and a molecular weight of 256.35 g/mol. Its IUPAC name is 5-[[2-(1,4-diazepan-1-yl)acetyl]amino]pentanamide.

Molecular Properties

Compound Name5-[[2-(1,4-diazepan-1-yl)acetyl]amino]pentanamide
PubChem CID106235926
Molecular FormulaC12H24N4O2
Molecular Weight256.35 g/mol
Exact Mass256.19
IUPAC Name5-[[2-(1,4-diazepan-1-yl)acetyl]amino]pentanamide
SMILESNC(=O)CCCCNC(=O)CN1CCCNCC1
InChIInChI=1S/C12H24N4O2/c13-11(17)4-1-2-6-15-12(18)10-16-8-3-5-14-7-9-16/h14H,1-10H2,(H2,13,17)(H,15,18)
InChIKeyXBPKVTYBTQCMJE-UHFFFAOYSA-N
XLogP-0.95
TPSA87.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 5-0.95
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

2-(1,4-diazepan-1-yl)-N-(5-hydroxypentyl)acetamide
CID 107317788
7-[(2-piperazin-1-ylacetyl)amino]heptanoic acid
CID 61158723
2-(1,4-diazepan-1-yl)-N-(7-methyloctyl)acetamide
CID 62839599
2-(1,4-diazepan-1-yl)-N-[3-(dimethylamino)propyl]acetamide
CID 54773686
N-cyclopropyl-4-[[2-(1,4-diazepan-1-yl)acetyl]amino]butanamide
CID 79401234
methyl 3-[[2-(1,4-diazepan-1-yl)acetyl]amino]propanoate
CID 62837481
2-[4-[2-[(6-amino-6-oxohexyl)amino]-2-oxoethyl]-7,10-bis(carboxymethyl)-1,4,7,10-tetrazacyclododec-1-yl]acetic acid
CID 134493029
2-(1,4-diazepan-1-yl)-N-(3-propoxypropyl)acetamide
CID 82939966
N-[2-[[2-(1,4-diazepan-1-yl)acetyl]amino]ethyl]-2-methylpropanamide
CID 62839250
2-(1,4-diazepan-1-yl)acetohydrazide
CID 63577135
2-(1,4-diazepan-1-yl)-N-(2-methylsulfonylethyl)acetamide
CID 62837051
2-(1,4-diazepan-1-yl)-N-[2-(diethylamino)ethyl]acetamide
CID 54773681

Frequently Asked Questions

What is the IUPAC name of 5-[[2-(1,4-diazepan-1-yl)acetyl]amino]pentanamide?
The IUPAC name of 5-[[2-(1,4-diazepan-1-yl)acetyl]amino]pentanamide (CID 106235926) is 5-[[2-(1,4-diazepan-1-yl)acetyl]amino]pentanamide.
What is the SMILES notation for 5-[[2-(1,4-diazepan-1-yl)acetyl]amino]pentanamide?
The canonical SMILES for 5-[[2-(1,4-diazepan-1-yl)acetyl]amino]pentanamide is NC(=O)CCCCNC(=O)CN1CCCNCC1.
What is the InChIKey of 5-[[2-(1,4-diazepan-1-yl)acetyl]amino]pentanamide?
The InChIKey is XBPKVTYBTQCMJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N4O2/c13-11(17)4-1-2-6-15-12(18)10-16-8-3-5-14-7-9-16/h14H,1-10H2,(H2,13,17)(H,15,18).
What are the key properties of 5-[[2-(1,4-diazepan-1-yl)acetyl]amino]pentanamide?
5-[[2-(1,4-diazepan-1-yl)acetyl]amino]pentanamide has a molecular weight of 256.35 g/mol, XLogP of -0.95, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[2-(1,4-diazepan-1-yl)acetyl]amino]pentanamide is sourced from PubChem (CID 106235926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).