3-(4-imidazol-1-ylbutylamino)-N-propan-2-ylpropanamide

C13H24N4O — CID 62625374

IUPAC3-(4-imidazol-1-ylbutylamino)-N-propan-2-ylpropanamide
SMILESCC(C)NC(=O)CCNCCCCn1ccnc1
InChIInChI=1S/C13H24N4O/c1-12(2)16-13(18)5-7-14-6-3-4-9-17-10-8-15-11-17/h8,10-12,14H,3-7,9H2,1-2H3,(H,16,18)
InChIKeyQDJWTWMFAAVAHZ-UHFFFAOYSA-N
MW252.36 g/mol
LogP1.17
Rot. Bonds9

About 3-(4-imidazol-1-ylbutylamino)-N-propan-2-ylpropanamide

3-(4-imidazol-1-ylbutylamino)-N-propan-2-ylpropanamide (PubChem CID 62625374) has the molecular formula C13H24N4O and a molecular weight of 252.36 g/mol. Its IUPAC name is 3-(4-imidazol-1-ylbutylamino)-N-propan-2-ylpropanamide.

Molecular Properties

Compound Name3-(4-imidazol-1-ylbutylamino)-N-propan-2-ylpropanamide
PubChem CID62625374
Molecular FormulaC13H24N4O
Molecular Weight252.36 g/mol
Exact Mass252.20
IUPAC Name3-(4-imidazol-1-ylbutylamino)-N-propan-2-ylpropanamide
SMILESCC(C)NC(=O)CCNCCCCn1ccnc1
InChIInChI=1S/C13H24N4O/c1-12(2)16-13(18)5-7-14-6-3-4-9-17-10-8-15-11-17/h8,10-12,14H,3-7,9H2,1-2H3,(H,16,18)
InChIKeyQDJWTWMFAAVAHZ-UHFFFAOYSA-N
XLogP1.17
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-butan-2-yl-3-(3-imidazol-1-ylpropylamino)propanamide
CID 54961391
3-(ethylamino)-N-(3-imidazol-1-ylpropyl)propanamide
CID 62833387
2-(2-imidazol-1-ylethylamino)-N-(3-methylbutan-2-yl)acetamide
CID 60695215
N-(5-imidazol-1-ylpentyl)-3-methylbutanamide
CID 110442138
2-bromo-N-(4-imidazol-1-ylbutyl)propanamide
CID 107905070
2-(1-imidazol-1-ylpropan-2-ylamino)-N-propan-2-ylacetamide
CID 61482336
1-(4-imidazol-1-ylbutyl)-3-methylurea
CID 115589253
N-(4-hydroxybutan-2-yl)-3-imidazol-1-ylpropanamide
CID 115283469
N-(1-imidazol-1-ylpropan-2-yl)-4-(propan-2-ylamino)butanamide
CID 54927698
methyl (2S)-3-(3-imidazol-1-ylpropylamino)-2-methylpropanoate
CID 94133695
propan-2-yl N-(4-imidazol-1-ylbutyl)carbamate
CID 116655262
N-(4-imidazol-1-ylbutyl)-2-methyl-3-(methylamino)propanamide
CID 79201805

Frequently Asked Questions

What is the IUPAC name of 3-(4-imidazol-1-ylbutylamino)-N-propan-2-ylpropanamide?
The IUPAC name of 3-(4-imidazol-1-ylbutylamino)-N-propan-2-ylpropanamide (CID 62625374) is 3-(4-imidazol-1-ylbutylamino)-N-propan-2-ylpropanamide.
What is the SMILES notation for 3-(4-imidazol-1-ylbutylamino)-N-propan-2-ylpropanamide?
The canonical SMILES for 3-(4-imidazol-1-ylbutylamino)-N-propan-2-ylpropanamide is CC(C)NC(=O)CCNCCCCn1ccnc1.
What is the InChIKey of 3-(4-imidazol-1-ylbutylamino)-N-propan-2-ylpropanamide?
The InChIKey is QDJWTWMFAAVAHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4O/c1-12(2)16-13(18)5-7-14-6-3-4-9-17-10-8-15-11-17/h8,10-12,14H,3-7,9H2,1-2H3,(H,16,18).
What are the key properties of 3-(4-imidazol-1-ylbutylamino)-N-propan-2-ylpropanamide?
3-(4-imidazol-1-ylbutylamino)-N-propan-2-ylpropanamide has a molecular weight of 252.36 g/mol, XLogP of 1.17, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-imidazol-1-ylbutylamino)-N-propan-2-ylpropanamide is sourced from PubChem (CID 62625374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).