N-cyclopentyl-3-[(N-ethyl-N'-pentylcarbamimidoyl)amino]propanamide

C16H32N4O — CID 111129988

IUPACN-cyclopentyl-3-[(N-ethyl-N'-pentylcarbamimidoyl)amino]propanamide
SMILESCCCCC/N=C(\NCC)NCCC(=O)NC1CCCC1
InChIInChI=1S/C16H32N4O/c1-3-5-8-12-18-16(17-4-2)19-13-11-15(21)20-14-9-6-7-10-14/h14H,3-13H2,1-2H3,(H,20,21)(H2,17,18,19)
InChIKeyDWGJWQLXXXHKFQ-UHFFFAOYSA-N
MW296.46 g/mol
LogP2.18
Rot. Bonds9

About N-cyclopentyl-3-[(N-ethyl-N'-pentylcarbamimidoyl)amino]propanamide

N-cyclopentyl-3-[(N-ethyl-N'-pentylcarbamimidoyl)amino]propanamide (PubChem CID 111129988) has the molecular formula C16H32N4O and a molecular weight of 296.46 g/mol. Its IUPAC name is N-cyclopentyl-3-[(N-ethyl-N'-pentylcarbamimidoyl)amino]propanamide.

Molecular Properties

Compound NameN-cyclopentyl-3-[(N-ethyl-N'-pentylcarbamimidoyl)amino]propanamide
PubChem CID111129988
Molecular FormulaC16H32N4O
Molecular Weight296.46 g/mol
Exact Mass296.26
IUPAC NameN-cyclopentyl-3-[(N-ethyl-N'-pentylcarbamimidoyl)amino]propanamide
SMILESCCCCC/N=C(\NCC)NCCC(=O)NC1CCCC1
InChIInChI=1S/C16H32N4O/c1-3-5-8-12-18-16(17-4-2)19-13-11-15(21)20-14-9-6-7-10-14/h14H,3-13H2,1-2H3,(H,20,21)(H2,17,18,19)
InChIKeyDWGJWQLXXXHKFQ-UHFFFAOYSA-N
XLogP2.18
TPSA65.52 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.46
LogP ≤ 52.18
H-Bond Donors ≤ 53
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'}

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Related Compounds

3-[[N'-[3-(azepan-1-yl)propyl]-N-ethylcarbamimidoyl]amino]-N-cyclopentylpropanamide
CID 111324750
N-cyclopentyl-3-[[N'-[3-[di(propan-2-yl)amino]propyl]-N-ethylcarbamimidoyl]amino]propanamide;hydroiodide
CID 111692491
N-cyclopentyl-3-[(N'-octylcarbamimidoyl)amino]propanamide
CID 111079277
4-[[(cyclopentylamino)-(ethylamino)methylidene]amino]-N-cyclopropylbutanamide;hydroiodide
CID 110991754
N-cyclohexyl-3-[[N'-(cyclopropylmethyl)-N-ethylcarbamimidoyl]amino]propanamide;hydroiodide
CID 111869765
N-cyclohexyl-3-[[N-ethyl-N'-(2-methylpropyl)carbamimidoyl]amino]propanamide
CID 111179178
N-cyclohexyl-3-[[N-ethyl-N'-[3-(2-methylpiperidin-1-yl)propyl]carbamimidoyl]amino]propanamide;hydroiodide
CID 111370438
4-[[(3-cyclopentylpropylamino)-(ethylamino)methylidene]amino]-N-cyclopropylbutanamide
CID 111946619
4-[[(3-cyclohexylpropylamino)-(ethylamino)methylidene]amino]-N-cyclopropylbutanamide
CID 111947391
4-[[[2-(2-butoxyethoxy)ethylamino]-(ethylamino)methylidene]amino]-N-cyclopropylbutanamide
CID 111694062
N-cyclohexyl-3-[(N-hexyl-N'-methylcarbamimidoyl)amino]propanamide
CID 111161669
N-cyclohexyl-3-[[N-ethyl-N'-(2-morpholin-4-ylethyl)carbamimidoyl]amino]propanamide;hydroiodide
CID 111188772

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-3-[(N-ethyl-N'-pentylcarbamimidoyl)amino]propanamide?
The IUPAC name of N-cyclopentyl-3-[(N-ethyl-N'-pentylcarbamimidoyl)amino]propanamide (CID 111129988) is N-cyclopentyl-3-[(N-ethyl-N'-pentylcarbamimidoyl)amino]propanamide.
What is the SMILES notation for N-cyclopentyl-3-[(N-ethyl-N'-pentylcarbamimidoyl)amino]propanamide?
The canonical SMILES for N-cyclopentyl-3-[(N-ethyl-N'-pentylcarbamimidoyl)amino]propanamide is CCCCC/N=C(\NCC)NCCC(=O)NC1CCCC1.
What is the InChIKey of N-cyclopentyl-3-[(N-ethyl-N'-pentylcarbamimidoyl)amino]propanamide?
The InChIKey is DWGJWQLXXXHKFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N4O/c1-3-5-8-12-18-16(17-4-2)19-13-11-15(21)20-14-9-6-7-10-14/h14H,3-13H2,1-2H3,(H,20,21)(H2,17,18,19).
What are the key properties of N-cyclopentyl-3-[(N-ethyl-N'-pentylcarbamimidoyl)amino]propanamide?
N-cyclopentyl-3-[(N-ethyl-N'-pentylcarbamimidoyl)amino]propanamide has a molecular weight of 296.46 g/mol, XLogP of 2.18, 9 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-3-[(N-ethyl-N'-pentylcarbamimidoyl)amino]propanamide is sourced from PubChem (CID 111129988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).