N-butan-2-yl-3-[(N-hept-6-enyl-N,N'-dimethylcarbamimidoyl)amino]propanamide

C17H34N4O — CID 109483053

IUPACN-butan-2-yl-3-[(N-hept-6-enyl-N,N'-dimethylcarbamimidoyl)amino]propanamide
SMILESC=CCCCCCN(C)/C(=N/C)NCCC(=O)NC(C)CC
InChIInChI=1S/C17H34N4O/c1-6-8-9-10-11-14-21(5)17(18-4)19-13-12-16(22)20-15(3)7-2/h6,15H,1,7-14H2,2-5H3,(H,18,19)(H,20,22)
InChIKeyGZCYSIRDEQSQED-UHFFFAOYSA-N
MW310.49 g/mol
LogP2.54
Rot. Bonds11

About N-butan-2-yl-3-[(N-hept-6-enyl-N,N'-dimethylcarbamimidoyl)amino]propanamide

N-butan-2-yl-3-[(N-hept-6-enyl-N,N'-dimethylcarbamimidoyl)amino]propanamide (PubChem CID 109483053) has the molecular formula C17H34N4O and a molecular weight of 310.49 g/mol. Its IUPAC name is N-butan-2-yl-3-[(N-hept-6-enyl-N,N'-dimethylcarbamimidoyl)amino]propanamide.

Molecular Properties

Compound NameN-butan-2-yl-3-[(N-hept-6-enyl-N,N'-dimethylcarbamimidoyl)amino]propanamide
PubChem CID109483053
Molecular FormulaC17H34N4O
Molecular Weight310.49 g/mol
Exact Mass310.27
IUPAC NameN-butan-2-yl-3-[(N-hept-6-enyl-N,N'-dimethylcarbamimidoyl)amino]propanamide
SMILESC=CCCCCCN(C)/C(=N/C)NCCC(=O)NC(C)CC
InChIInChI=1S/C17H34N4O/c1-6-8-9-10-11-14-21(5)17(18-4)19-13-12-16(22)20-15(3)7-2/h6,15H,1,7-14H2,2-5H3,(H,18,19)(H,20,22)
InChIKeyGZCYSIRDEQSQED-UHFFFAOYSA-N
XLogP2.54
TPSA56.73 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.49
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

3-[[N,N'-bis(2-aminoethyl)carbamimidoyl]amino]-N,N-bis(octadec-9-enyl)propanamide
CID 85067269
3-[[N,N'-bis(2-aminoethyl)carbamimidoyl]amino]-N,N-bis[(E)-octadec-9-enyl]propanamide
CID 88235624
3-[[N,N'-bis(2-aminoethyl)carbamimidoyl]amino]-N,N-bis[(Z)-octadec-9-enyl]propanamide
CID 9918235
N-cyclopentyl-3-[(N-hept-6-enyl-N,N'-dimethylcarbamimidoyl)amino]propanamide;hydroiodide
CID 109482892
N-cyclopentyl-3-[(N-hept-6-enyl-N,N'-dimethylcarbamimidoyl)amino]propanamide
CID 109482893
N-[2-[(N-hept-6-enyl-N,N'-dimethylcarbamimidoyl)amino]ethyl]-2,2-dimethylpropanamide;hydroiodide
CID 109482968
N-[2-[(N-hept-6-enyl-N,N'-dimethylcarbamimidoyl)amino]ethyl]-2,2-dimethylpropanamide
CID 109482969
N-[2-[[ethylamino-[hept-6-enyl(methyl)amino]methylidene]amino]ethyl]-2,2-dimethylpropanamide;hydroiodide
CID 109482970
N-[2-[[ethylamino-[hept-6-enyl(methyl)amino]methylidene]amino]ethyl]-2,2-dimethylpropanamide
CID 109482971
N-[2-[[ethylamino-[hept-6-enyl(methyl)amino]methylidene]amino]ethyl]acetamide;hydroiodide
CID 109482980
N-[2-[[ethylamino-[hept-6-enyl(methyl)amino]methylidene]amino]ethyl]acetamide
CID 109482981
N-[2-[(N-hept-6-enyl-N,N'-dimethylcarbamimidoyl)amino]ethyl]-2-methylpropanamide;hydroiodide
CID 109482998

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-3-[(N-hept-6-enyl-N,N'-dimethylcarbamimidoyl)amino]propanamide?
The IUPAC name of N-butan-2-yl-3-[(N-hept-6-enyl-N,N'-dimethylcarbamimidoyl)amino]propanamide (CID 109483053) is N-butan-2-yl-3-[(N-hept-6-enyl-N,N'-dimethylcarbamimidoyl)amino]propanamide.
What is the SMILES notation for N-butan-2-yl-3-[(N-hept-6-enyl-N,N'-dimethylcarbamimidoyl)amino]propanamide?
The canonical SMILES for N-butan-2-yl-3-[(N-hept-6-enyl-N,N'-dimethylcarbamimidoyl)amino]propanamide is C=CCCCCCN(C)/C(=N/C)NCCC(=O)NC(C)CC.
What is the InChIKey of N-butan-2-yl-3-[(N-hept-6-enyl-N,N'-dimethylcarbamimidoyl)amino]propanamide?
The InChIKey is GZCYSIRDEQSQED-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34N4O/c1-6-8-9-10-11-14-21(5)17(18-4)19-13-12-16(22)20-15(3)7-2/h6,15H,1,7-14H2,2-5H3,(H,18,19)(H,20,22).
What are the key properties of N-butan-2-yl-3-[(N-hept-6-enyl-N,N'-dimethylcarbamimidoyl)amino]propanamide?
N-butan-2-yl-3-[(N-hept-6-enyl-N,N'-dimethylcarbamimidoyl)amino]propanamide has a molecular weight of 310.49 g/mol, XLogP of 2.54, 11 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-3-[(N-hept-6-enyl-N,N'-dimethylcarbamimidoyl)amino]propanamide is sourced from PubChem (CID 109483053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).