N-[[4-[[amino-[cyclopentyl(methyl)carbamoyl]amino]methyl]phenyl]methyl]acetamide;hydrochloride

C17H27ClN4O2 — CID 11314234

IUPACN-[[4-[[amino-[cyclopentyl(methyl)carbamoyl]amino]methyl]phenyl]methyl]acetamide;hydrochloride
SMILESCC(=O)NCc1ccc(CN(N)C(=O)N(C)C2CCCC2)cc1.Cl
InChIInChI=1S/C17H26N4O2.ClH/c1-13(22)19-11-14-7-9-15(10-8-14)12-21(18)17(23)20(2)16-5-3-4-6-16;/h7-10,16H,3-6,11-12,18H2,1-2H3,(H,19,22);1H
InChIKeyYOKDRYQKAIBEEP-UHFFFAOYSA-N
MW354.88 g/mol
LogP2.41
Rot. Bonds5

About N-[[4-[[amino-[cyclopentyl(methyl)carbamoyl]amino]methyl]phenyl]methyl]acetamide;hydrochloride

N-[[4-[[amino-[cyclopentyl(methyl)carbamoyl]amino]methyl]phenyl]methyl]acetamide;hydrochloride (PubChem CID 11314234) has the molecular formula C17H27ClN4O2 and a molecular weight of 354.88 g/mol. Its IUPAC name is N-[[4-[[amino-[cyclopentyl(methyl)carbamoyl]amino]methyl]phenyl]methyl]acetamide;hydrochloride.

Molecular Properties

Compound NameN-[[4-[[amino-[cyclopentyl(methyl)carbamoyl]amino]methyl]phenyl]methyl]acetamide;hydrochloride
PubChem CID11314234
Molecular FormulaC17H27ClN4O2
Molecular Weight354.88 g/mol
Exact Mass354.18
IUPAC NameN-[[4-[[amino-[cyclopentyl(methyl)carbamoyl]amino]methyl]phenyl]methyl]acetamide;hydrochloride
SMILESCC(=O)NCc1ccc(CN(N)C(=O)N(C)C2CCCC2)cc1.Cl
InChIInChI=1S/C17H26N4O2.ClH/c1-13(22)19-11-14-7-9-15(10-8-14)12-21(18)17(23)20(2)16-5-3-4-6-16;/h7-10,16H,3-6,11-12,18H2,1-2H3,(H,19,22);1H
InChIKeyYOKDRYQKAIBEEP-UHFFFAOYSA-N
XLogP2.41
TPSA78.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.88
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[[4-[[amino(cycloheptylcarbamoyl)amino]methyl]phenyl]methyl]acetamide;hydrochloride
CID 11451494
4-[(carbamoylamino)methyl]-N-cyclopentyl-N-methylbenzamide
CID 47128703
N-[(4-cyclopentylphenyl)methyl]acetamide
CID 66695215
ethane;N-[(4-ethylphenyl)methyl]acetamide
CID 143474952
4-[[cyclohexyl(methyl)amino]methyl]benzamide;hydrochloride
CID 166523994
N-cyclohexyl-2-[(4-methoxyphenyl)methylamino]-N-methylacetamide
CID 54837999
3-[acetyl(cyclopentyl)amino]-N-benzylpropanamide
CID 113116330
4-[[cycloheptyl(methyl)amino]methyl]benzohydrazide
CID 63571457
N-[4-[[amino-(4-methylpiperidine-1-carbonyl)amino]methyl]phenyl]acetamide;hydrochloride
CID 11739334
N-methyl-N-[[4-(methylaminomethyl)phenyl]methyl]cyclohexanamine
CID 62424446
N-[(4-iodophenyl)methyl]acetamide
CID 23111624
(2R,3R)-N-cyclohexyl-2,3-dihydroxy-N-methyl-N'-[[4-(trifluoromethyl)phenyl]methyl]butanediamide
CID 23585604

Frequently Asked Questions

What is the IUPAC name of N-[[4-[[amino-[cyclopentyl(methyl)carbamoyl]amino]methyl]phenyl]methyl]acetamide;hydrochloride?
The IUPAC name of N-[[4-[[amino-[cyclopentyl(methyl)carbamoyl]amino]methyl]phenyl]methyl]acetamide;hydrochloride (CID 11314234) is N-[[4-[[amino-[cyclopentyl(methyl)carbamoyl]amino]methyl]phenyl]methyl]acetamide;hydrochloride.
What is the SMILES notation for N-[[4-[[amino-[cyclopentyl(methyl)carbamoyl]amino]methyl]phenyl]methyl]acetamide;hydrochloride?
The canonical SMILES for N-[[4-[[amino-[cyclopentyl(methyl)carbamoyl]amino]methyl]phenyl]methyl]acetamide;hydrochloride is CC(=O)NCc1ccc(CN(N)C(=O)N(C)C2CCCC2)cc1.Cl.
What is the InChIKey of N-[[4-[[amino-[cyclopentyl(methyl)carbamoyl]amino]methyl]phenyl]methyl]acetamide;hydrochloride?
The InChIKey is YOKDRYQKAIBEEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4O2.ClH/c1-13(22)19-11-14-7-9-15(10-8-14)12-21(18)17(23)20(2)16-5-3-4-6-16;/h7-10,16H,3-6,11-12,18H2,1-2H3,(H,19,22);1H.
What are the key properties of N-[[4-[[amino-[cyclopentyl(methyl)carbamoyl]amino]methyl]phenyl]methyl]acetamide;hydrochloride?
N-[[4-[[amino-[cyclopentyl(methyl)carbamoyl]amino]methyl]phenyl]methyl]acetamide;hydrochloride has a molecular weight of 354.88 g/mol, XLogP of 2.41, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[[amino-[cyclopentyl(methyl)carbamoyl]amino]methyl]phenyl]methyl]acetamide;hydrochloride is sourced from PubChem (CID 11314234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).