N-[4-[2-(tert-butylamino)propanoyl]phenyl]acetamide

C15H22N2O2 — CID 13458401

IUPACN-[4-[2-(tert-butylamino)propanoyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(C(=O)C(C)NC(C)(C)C)cc1
InChIInChI=1S/C15H22N2O2/c1-10(17-15(3,4)5)14(19)12-6-8-13(9-7-12)16-11(2)18/h6-10,17H,1-5H3,(H,16,18)
InChIKeyUMVUBOWZTDWHRC-UHFFFAOYSA-N
MW262.35 g/mol
LogP2.60
Rot. Bonds4

About N-[4-[2-(tert-butylamino)propanoyl]phenyl]acetamide

N-[4-[2-(tert-butylamino)propanoyl]phenyl]acetamide (PubChem CID 13458401) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is N-[4-[2-(tert-butylamino)propanoyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[2-(tert-butylamino)propanoyl]phenyl]acetamide
PubChem CID13458401
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC NameN-[4-[2-(tert-butylamino)propanoyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(C(=O)C(C)NC(C)(C)C)cc1
InChIInChI=1S/C15H22N2O2/c1-10(17-15(3,4)5)14(19)12-6-8-13(9-7-12)16-11(2)18/h6-10,17H,1-5H3,(H,16,18)
InChIKeyUMVUBOWZTDWHRC-UHFFFAOYSA-N
XLogP2.60
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-bromophenyl)-2-(tert-butylamino)propan-1-one
CID 44542509
N-[4-(2-aminopropanoyl)phenyl]acetamide
CID 70449840
2-(tert-butylamino)-1-(3,4-dichlorophenyl)propan-1-one;hydrochloride
CID 71314367
N-[4-[2-(cyclopropylamino)propanoyl]phenyl]acetamide;hydrochloride
CID 3024747
N-[4-[3,3,3-trifluoro-2-(trifluoromethyl)propanoyl]phenyl]acetamide
CID 103309343
N-[4-[2-(tert-butylamino)-1-hydroxypropyl]phenyl]acetamide
CID 82314635
bis((E)-but-2-enedioic acid);2-(tert-butylamino)-1-(4-chlorophenyl)propan-1-one
CID 131698964
N-[4-[(2R)-2-bromobutanoyl]phenyl]acetamide
CID 95380737
(2S)-2-(4-acetamidoanilino)-N-tert-butylpropanamide
CID 35994885
2-(tert-butylamino)-1-(3-chloro-4-methylphenyl)propan-1-one
CID 44542510
bis[(2R)-1-(4-acetamidophenyl)-1-oxopropan-2-yl] (E)-but-2-enedioate
CID 51872840
1-(4-chlorophenyl)-2-[[1,1,1,3,3,3-hexadeuterio-2-(trideuteriomethyl)propan-2-yl]amino]propan-1-one
CID 169437498

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-(tert-butylamino)propanoyl]phenyl]acetamide?
The IUPAC name of N-[4-[2-(tert-butylamino)propanoyl]phenyl]acetamide (CID 13458401) is N-[4-[2-(tert-butylamino)propanoyl]phenyl]acetamide.
What is the SMILES notation for N-[4-[2-(tert-butylamino)propanoyl]phenyl]acetamide?
The canonical SMILES for N-[4-[2-(tert-butylamino)propanoyl]phenyl]acetamide is CC(=O)Nc1ccc(C(=O)C(C)NC(C)(C)C)cc1.
What is the InChIKey of N-[4-[2-(tert-butylamino)propanoyl]phenyl]acetamide?
The InChIKey is UMVUBOWZTDWHRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-10(17-15(3,4)5)14(19)12-6-8-13(9-7-12)16-11(2)18/h6-10,17H,1-5H3,(H,16,18).
What are the key properties of N-[4-[2-(tert-butylamino)propanoyl]phenyl]acetamide?
N-[4-[2-(tert-butylamino)propanoyl]phenyl]acetamide has a molecular weight of 262.35 g/mol, XLogP of 2.60, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-(tert-butylamino)propanoyl]phenyl]acetamide is sourced from PubChem (CID 13458401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).