2,2-dimethyl-N-[4-methyl-3-(3-piperidin-4-ylbutanoylamino)phenyl]propanamide

C21H33N3O2 — CID 119780736

IUPAC2,2-dimethyl-N-[4-methyl-3-(3-piperidin-4-ylbutanoylamino)phenyl]propanamide
SMILESCc1ccc(NC(=O)C(C)(C)C)cc1NC(=O)CC(C)C1CCNCC1
InChIInChI=1S/C21H33N3O2/c1-14-6-7-17(23-20(26)21(3,4)5)13-18(14)24-19(25)12-15(2)16-8-10-22-11-9-16/h6-7,13,15-16,22H,8-12H2,1-5H3,(H,23,26)(H,24,25)
InChIKeyGNUMNKVJZKELIV-UHFFFAOYSA-N
MW359.51 g/mol
LogP3.94
Rot. Bonds5

About 2,2-dimethyl-N-[4-methyl-3-(3-piperidin-4-ylbutanoylamino)phenyl]propanamide

2,2-dimethyl-N-[4-methyl-3-(3-piperidin-4-ylbutanoylamino)phenyl]propanamide (PubChem CID 119780736) has the molecular formula C21H33N3O2 and a molecular weight of 359.51 g/mol. Its IUPAC name is 2,2-dimethyl-N-[4-methyl-3-(3-piperidin-4-ylbutanoylamino)phenyl]propanamide.

Molecular Properties

Compound Name2,2-dimethyl-N-[4-methyl-3-(3-piperidin-4-ylbutanoylamino)phenyl]propanamide
PubChem CID119780736
Molecular FormulaC21H33N3O2
Molecular Weight359.51 g/mol
Exact Mass359.26
IUPAC Name2,2-dimethyl-N-[4-methyl-3-(3-piperidin-4-ylbutanoylamino)phenyl]propanamide
SMILESCc1ccc(NC(=O)C(C)(C)C)cc1NC(=O)CC(C)C1CCNCC1
InChIInChI=1S/C21H33N3O2/c1-14-6-7-17(23-20(26)21(3,4)5)13-18(14)24-19(25)12-15(2)16-8-10-22-11-9-16/h6-7,13,15-16,22H,8-12H2,1-5H3,(H,23,26)(H,24,25)
InChIKeyGNUMNKVJZKELIV-UHFFFAOYSA-N
XLogP3.94
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.51
LogP ≤ 53.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-methyl-5-(2-methylpropanoylamino)phenyl]-3-piperidin-4-ylbutanamide;hydrochloride
CID 119725781
N-[5-(2,2-dimethylpropanoylamino)-2-methylphenyl]piperidine-4-carboxamide
CID 119321946
N-(4-methyl-3-sulfamoylphenyl)-3-piperidin-4-ylbutanamide
CID 119689561
N-[5-(2,2-dimethylpropanoylamino)-2-methylphenyl]-3,4,4-trimethylpentanamide
CID 86938339
N-[3-(2,2-dimethylpropanoylamino)-4-methylphenyl]piperidine-4-carboxamide
CID 119321965
2-methyl-5-(3-piperidin-4-ylbutanoylamino)benzamide;hydrochloride
CID 119771549
N-(4-methyl-3-nitrophenyl)-3-piperidin-4-ylbutanamide
CID 119670842
N-(3-methyl-4-propan-2-yloxyphenyl)-3-piperidin-4-ylbutanamide
CID 119802609
2-methyl-4-(3-piperidin-4-ylbutanoylamino)benzamide
CID 119775199
N-(4-iodo-2-methylphenyl)-3-piperidin-4-ylbutanamide
CID 119672088
N-[4-methyl-3-(3-piperidin-3-ylbutanoylamino)phenyl]cyclopropanecarboxamide;hydrochloride
CID 119725834
methyl 2-methyl-4-(3-piperidin-4-ylbutanoylamino)benzoate;hydrochloride
CID 119775418

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-[4-methyl-3-(3-piperidin-4-ylbutanoylamino)phenyl]propanamide?
The IUPAC name of 2,2-dimethyl-N-[4-methyl-3-(3-piperidin-4-ylbutanoylamino)phenyl]propanamide (CID 119780736) is 2,2-dimethyl-N-[4-methyl-3-(3-piperidin-4-ylbutanoylamino)phenyl]propanamide.
What is the SMILES notation for 2,2-dimethyl-N-[4-methyl-3-(3-piperidin-4-ylbutanoylamino)phenyl]propanamide?
The canonical SMILES for 2,2-dimethyl-N-[4-methyl-3-(3-piperidin-4-ylbutanoylamino)phenyl]propanamide is Cc1ccc(NC(=O)C(C)(C)C)cc1NC(=O)CC(C)C1CCNCC1.
What is the InChIKey of 2,2-dimethyl-N-[4-methyl-3-(3-piperidin-4-ylbutanoylamino)phenyl]propanamide?
The InChIKey is GNUMNKVJZKELIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H33N3O2/c1-14-6-7-17(23-20(26)21(3,4)5)13-18(14)24-19(25)12-15(2)16-8-10-22-11-9-16/h6-7,13,15-16,22H,8-12H2,1-5H3,(H,23,26)(H,24,25).
What are the key properties of 2,2-dimethyl-N-[4-methyl-3-(3-piperidin-4-ylbutanoylamino)phenyl]propanamide?
2,2-dimethyl-N-[4-methyl-3-(3-piperidin-4-ylbutanoylamino)phenyl]propanamide has a molecular weight of 359.51 g/mol, XLogP of 3.94, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-[4-methyl-3-(3-piperidin-4-ylbutanoylamino)phenyl]propanamide is sourced from PubChem (CID 119780736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).