N-butan-2-yl-2-methyl-N-[3-oxo-3-(1-phenylethylamino)propyl]benzamide

C23H30N2O2 — CID 42699069

IUPACN-butan-2-yl-2-methyl-N-[3-oxo-3-(1-phenylethylamino)propyl]benzamide
SMILESCCC(C)N(CCC(=O)NC(C)c1ccccc1)C(=O)c1ccccc1C
InChIInChI=1S/C23H30N2O2/c1-5-18(3)25(23(27)21-14-10-9-11-17(21)2)16-15-22(26)24-19(4)20-12-7-6-8-13-20/h6-14,18-19H,5,15-16H2,1-4H3,(H,24,26)
InChIKeyJDPVDZUTVWFPCH-UHFFFAOYSA-N
MW366.51 g/mol
LogP4.50
Rot. Bonds8

About N-butan-2-yl-2-methyl-N-[3-oxo-3-(1-phenylethylamino)propyl]benzamide

N-butan-2-yl-2-methyl-N-[3-oxo-3-(1-phenylethylamino)propyl]benzamide (PubChem CID 42699069) has the molecular formula C23H30N2O2 and a molecular weight of 366.51 g/mol. Its IUPAC name is N-butan-2-yl-2-methyl-N-[3-oxo-3-(1-phenylethylamino)propyl]benzamide.

Molecular Properties

Compound NameN-butan-2-yl-2-methyl-N-[3-oxo-3-(1-phenylethylamino)propyl]benzamide
PubChem CID42699069
Molecular FormulaC23H30N2O2
Molecular Weight366.51 g/mol
Exact Mass366.23
IUPAC NameN-butan-2-yl-2-methyl-N-[3-oxo-3-(1-phenylethylamino)propyl]benzamide
SMILESCCC(C)N(CCC(=O)NC(C)c1ccccc1)C(=O)c1ccccc1C
InChIInChI=1S/C23H30N2O2/c1-5-18(3)25(23(27)21-14-10-9-11-17(21)2)16-15-22(26)24-19(4)20-12-7-6-8-13-20/h6-14,18-19H,5,15-16H2,1-4H3,(H,24,26)
InChIKeyJDPVDZUTVWFPCH-UHFFFAOYSA-N
XLogP4.50
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.51
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[butan-2-yl(propanoyl)amino]-N-(1-phenylethyl)propanamide
CID 42699063
2-methyl-N-[2-oxo-2-(1-phenylethylamino)ethyl]benzamide
CID 42702795
N-butan-2-yl-3,5,5-trimethyl-N-[3-oxo-3-(1-phenylethylamino)propyl]hexanamide
CID 42699071
3-(diethylamino)-N-(1-phenylethyl)propanamide
CID 109020107
3-[(2-bromophenyl)carbamoyl-butan-2-ylamino]-N-(1-phenylethyl)propanamide
CID 42699218
3-[acetyl-[(2-methylphenyl)methyl]amino]-N-(1-phenylethyl)propanamide
CID 113118397
2-methyl-N-[(1R)-1-phenylethyl]benzamide
CID 681346
2-[2-carboxyethyl-(2-methylbenzoyl)amino]propanoic acid
CID 82324587
N-benzyl-2-methyl-N-[4-[2-oxo-2-(1-phenylethylamino)ethyl]phenyl]benzamide
CID 46052536
N-[2-(diethylamino)ethyl]-N'-[(1S)-1-phenylethyl]butanediamide
CID 41165153
N,N'-bis[(1S)-1-phenylethyl]pentadecanediamide
CID 102132499
3-amino-N-(1-phenylethyl)propanamide
CID 16784228

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-2-methyl-N-[3-oxo-3-(1-phenylethylamino)propyl]benzamide?
The IUPAC name of N-butan-2-yl-2-methyl-N-[3-oxo-3-(1-phenylethylamino)propyl]benzamide (CID 42699069) is N-butan-2-yl-2-methyl-N-[3-oxo-3-(1-phenylethylamino)propyl]benzamide.
What is the SMILES notation for N-butan-2-yl-2-methyl-N-[3-oxo-3-(1-phenylethylamino)propyl]benzamide?
The canonical SMILES for N-butan-2-yl-2-methyl-N-[3-oxo-3-(1-phenylethylamino)propyl]benzamide is CCC(C)N(CCC(=O)NC(C)c1ccccc1)C(=O)c1ccccc1C.
What is the InChIKey of N-butan-2-yl-2-methyl-N-[3-oxo-3-(1-phenylethylamino)propyl]benzamide?
The InChIKey is JDPVDZUTVWFPCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N2O2/c1-5-18(3)25(23(27)21-14-10-9-11-17(21)2)16-15-22(26)24-19(4)20-12-7-6-8-13-20/h6-14,18-19H,5,15-16H2,1-4H3,(H,24,26).
What are the key properties of N-butan-2-yl-2-methyl-N-[3-oxo-3-(1-phenylethylamino)propyl]benzamide?
N-butan-2-yl-2-methyl-N-[3-oxo-3-(1-phenylethylamino)propyl]benzamide has a molecular weight of 366.51 g/mol, XLogP of 4.50, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-2-methyl-N-[3-oxo-3-(1-phenylethylamino)propyl]benzamide is sourced from PubChem (CID 42699069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).