2-amino-N-[1-(6-carbamimidoylnaphthalene-2-carbonyl)cyclohexyl]propanamide

C21H26N4O2 — CID 57058463

IUPAC2-amino-N-[1-(6-carbamimidoylnaphthalene-2-carbonyl)cyclohexyl]propanamide
SMILES[H]/N=C(\N)c1ccc2cc(C(=O)C3(NC(=O)C(C)N)CCCCC3)ccc2c1
InChIInChI=1S/C21H26N4O2/c1-13(22)20(27)25-21(9-3-2-4-10-21)18(26)16-7-5-15-12-17(19(23)24)8-6-14(15)11-16/h5-8,11-13H,2-4,9-10,22H2,1H3,(H3,23,24)(H,25,27)
InChIKeyRZSVXAOIRNXYFW-UHFFFAOYSA-N
MW366.47 g/mol
LogP2.47
Rot. Bonds5

About 2-amino-N-[1-(6-carbamimidoylnaphthalene-2-carbonyl)cyclohexyl]propanamide

2-amino-N-[1-(6-carbamimidoylnaphthalene-2-carbonyl)cyclohexyl]propanamide (PubChem CID 57058463) has the molecular formula C21H26N4O2 and a molecular weight of 366.47 g/mol. Its IUPAC name is 2-amino-N-[1-(6-carbamimidoylnaphthalene-2-carbonyl)cyclohexyl]propanamide.

Molecular Properties

Compound Name2-amino-N-[1-(6-carbamimidoylnaphthalene-2-carbonyl)cyclohexyl]propanamide
PubChem CID57058463
Molecular FormulaC21H26N4O2
Molecular Weight366.47 g/mol
Exact Mass366.21
IUPAC Name2-amino-N-[1-(6-carbamimidoylnaphthalene-2-carbonyl)cyclohexyl]propanamide
SMILES[H]/N=C(\N)c1ccc2cc(C(=O)C3(NC(=O)C(C)N)CCCCC3)ccc2c1
InChIInChI=1S/C21H26N4O2/c1-13(22)20(27)25-21(9-3-2-4-10-21)18(26)16-7-5-15-12-17(19(23)24)8-6-14(15)11-16/h5-8,11-13H,2-4,9-10,22H2,1H3,(H3,23,24)(H,25,27)
InChIKeyRZSVXAOIRNXYFW-UHFFFAOYSA-N
XLogP2.47
TPSA122.06 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.47
LogP ≤ 52.47
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-amino-N-[1-(6-cyanonaphthalene-2-carbonyl)cyclohexyl]propanamide
CID 21186393
1-[[(2R)-2-aminopropanoyl]amino]cyclohexane-1-carboxylic acid
CID 10632420
6-propan-2-ylnaphthalene-2-carboximidamide
CID 138525860
6-methoxynaphthalene-2-carboximidamide
CID 3274917
2-(7-carbamimidoylnaphthalen-2-yl)propanoic acid
CID 140981325
6-carbamimidoyl-N-(3-propan-2-yloxyphenyl)naphthalene-2-carboxamide
CID 11473486
(6-carbamimidoylnaphthalen-2-yl) methanesulfonate
CID 13050560
(2S)-2-amino-N-[3-(3-carbamimidoylphenoxy)propyl]propanamide
CID 59749242
6-(propan-2-ylamino)pyridine-3-carboximidamide
CID 62199546
7-carbamimidoyl-N-(3,5-dimethoxyphenyl)naphthalene-2-carboxamide
CID 10291466
(3-carbamimidoylphenyl) (2S)-2-aminopropanoate
CID 68930399
6-carbamimidoyl-N-(4-carbamoylphenyl)naphthalene-2-carboxamide
CID 11244460

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[1-(6-carbamimidoylnaphthalene-2-carbonyl)cyclohexyl]propanamide?
The IUPAC name of 2-amino-N-[1-(6-carbamimidoylnaphthalene-2-carbonyl)cyclohexyl]propanamide (CID 57058463) is 2-amino-N-[1-(6-carbamimidoylnaphthalene-2-carbonyl)cyclohexyl]propanamide.
What is the SMILES notation for 2-amino-N-[1-(6-carbamimidoylnaphthalene-2-carbonyl)cyclohexyl]propanamide?
The canonical SMILES for 2-amino-N-[1-(6-carbamimidoylnaphthalene-2-carbonyl)cyclohexyl]propanamide is [H]/N=C(\N)c1ccc2cc(C(=O)C3(NC(=O)C(C)N)CCCCC3)ccc2c1.
What is the InChIKey of 2-amino-N-[1-(6-carbamimidoylnaphthalene-2-carbonyl)cyclohexyl]propanamide?
The InChIKey is RZSVXAOIRNXYFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O2/c1-13(22)20(27)25-21(9-3-2-4-10-21)18(26)16-7-5-15-12-17(19(23)24)8-6-14(15)11-16/h5-8,11-13H,2-4,9-10,22H2,1H3,(H3,23,24)(H,25,27).
What are the key properties of 2-amino-N-[1-(6-carbamimidoylnaphthalene-2-carbonyl)cyclohexyl]propanamide?
2-amino-N-[1-(6-carbamimidoylnaphthalene-2-carbonyl)cyclohexyl]propanamide has a molecular weight of 366.47 g/mol, XLogP of 2.47, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[1-(6-carbamimidoylnaphthalene-2-carbonyl)cyclohexyl]propanamide is sourced from PubChem (CID 57058463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).