2-[cyclohexyl(methyl)amino]-N-[3-(pyrrolidine-1-carbonyl)phenyl]acetamide

C20H29N3O2 — CID 54817312

IUPAC2-[cyclohexyl(methyl)amino]-N-[3-(pyrrolidine-1-carbonyl)phenyl]acetamide
SMILESCN(CC(=O)Nc1cccc(C(=O)N2CCCC2)c1)C1CCCCC1
InChIInChI=1S/C20H29N3O2/c1-22(18-10-3-2-4-11-18)15-19(24)21-17-9-7-8-16(14-17)20(25)23-12-5-6-13-23/h7-9,14,18H,2-6,10-13,15H2,1H3,(H,21,24)
InChIKeyTYFGTECZYIDBPT-UHFFFAOYSA-N
MW343.47 g/mol
LogP3.13
Rot. Bonds5

About 2-[cyclohexyl(methyl)amino]-N-[3-(pyrrolidine-1-carbonyl)phenyl]acetamide

2-[cyclohexyl(methyl)amino]-N-[3-(pyrrolidine-1-carbonyl)phenyl]acetamide (PubChem CID 54817312) has the molecular formula C20H29N3O2 and a molecular weight of 343.47 g/mol. Its IUPAC name is 2-[cyclohexyl(methyl)amino]-N-[3-(pyrrolidine-1-carbonyl)phenyl]acetamide.

Molecular Properties

Compound Name2-[cyclohexyl(methyl)amino]-N-[3-(pyrrolidine-1-carbonyl)phenyl]acetamide
PubChem CID54817312
Molecular FormulaC20H29N3O2
Molecular Weight343.47 g/mol
Exact Mass343.23
IUPAC Name2-[cyclohexyl(methyl)amino]-N-[3-(pyrrolidine-1-carbonyl)phenyl]acetamide
SMILESCN(CC(=O)Nc1cccc(C(=O)N2CCCC2)c1)C1CCCCC1
InChIInChI=1S/C20H29N3O2/c1-22(18-10-3-2-4-11-18)15-19(24)21-17-9-7-8-16(14-17)20(25)23-12-5-6-13-23/h7-9,14,18H,2-6,10-13,15H2,1H3,(H,21,24)
InChIKeyTYFGTECZYIDBPT-UHFFFAOYSA-N
XLogP3.13
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.47
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-N-[3-[4-[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]piperidine-1-carbonyl]phenyl]cyclopropane-1-carboxamide
CID 75386847
trans-(1R,2R)-2-methyl-N-[3-[4-[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]piperidine-1-carbonyl]phenyl]cyclopropane-1-carboxamide
CID 97238780
2-(methylamino)-N-[3-(piperidine-1-carbonyl)phenyl]acetamide;hydrochloride
CID 119740126
2-[cyclohexyl(methyl)amino]-N-(3-fluorophenyl)acetamide
CID 4818308
2-[cyclohexyl(methyl)amino]-N-[4-(4-methylpiperidine-1-carbonyl)phenyl]acetamide
CID 54817465
2-[cycloheptyl(methyl)amino]-N-[3-(trifluoromethyl)phenyl]acetamide
CID 16577679
N-[3-(aminomethyl)phenyl]-2-[cyclohexyl(methyl)amino]acetamide
CID 16782283
N-[3-(4-methylpiperidine-1-carbonyl)phenyl]-2-[4-(piperidine-1-carbonyl)anilino]acetamide
CID 54841357
N-[3-(piperidine-1-carbonyl)phenyl]tetradecanamide
CID 54791960
N-(3-acetamidophenyl)-2-[3-(azepane-1-carbonyl)anilino]acetamide
CID 54841554
N-[3-(azepane-1-carbonyl)phenyl]-4-chlorobutanamide
CID 26159666
4-amino-N-[3-(piperidine-1-carbonyl)phenyl]pentanamide;hydrochloride
CID 120560909

Frequently Asked Questions

What is the IUPAC name of 2-[cyclohexyl(methyl)amino]-N-[3-(pyrrolidine-1-carbonyl)phenyl]acetamide?
The IUPAC name of 2-[cyclohexyl(methyl)amino]-N-[3-(pyrrolidine-1-carbonyl)phenyl]acetamide (CID 54817312) is 2-[cyclohexyl(methyl)amino]-N-[3-(pyrrolidine-1-carbonyl)phenyl]acetamide.
What is the SMILES notation for 2-[cyclohexyl(methyl)amino]-N-[3-(pyrrolidine-1-carbonyl)phenyl]acetamide?
The canonical SMILES for 2-[cyclohexyl(methyl)amino]-N-[3-(pyrrolidine-1-carbonyl)phenyl]acetamide is CN(CC(=O)Nc1cccc(C(=O)N2CCCC2)c1)C1CCCCC1.
What is the InChIKey of 2-[cyclohexyl(methyl)amino]-N-[3-(pyrrolidine-1-carbonyl)phenyl]acetamide?
The InChIKey is TYFGTECZYIDBPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N3O2/c1-22(18-10-3-2-4-11-18)15-19(24)21-17-9-7-8-16(14-17)20(25)23-12-5-6-13-23/h7-9,14,18H,2-6,10-13,15H2,1H3,(H,21,24).
What are the key properties of 2-[cyclohexyl(methyl)amino]-N-[3-(pyrrolidine-1-carbonyl)phenyl]acetamide?
2-[cyclohexyl(methyl)amino]-N-[3-(pyrrolidine-1-carbonyl)phenyl]acetamide has a molecular weight of 343.47 g/mol, XLogP of 3.13, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclohexyl(methyl)amino]-N-[3-(pyrrolidine-1-carbonyl)phenyl]acetamide is sourced from PubChem (CID 54817312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).