N-[1-(dimethylamino)-1-oxobutan-2-yl]-3-methyl-2-(methylamino)-3-phenylbutanamide

C18H29N3O2 — CID 175143257

IUPACN-[1-(dimethylamino)-1-oxobutan-2-yl]-3-methyl-2-(methylamino)-3-phenylbutanamide
SMILESCCC(NC(=O)C(NC)C(C)(C)c1ccccc1)C(=O)N(C)C
InChIInChI=1S/C18H29N3O2/c1-7-14(17(23)21(5)6)20-16(22)15(19-4)18(2,3)13-11-9-8-10-12-13/h8-12,14-15,19H,7H2,1-6H3,(H,20,22)
InChIKeyLMGZBGTYLOXBMT-UHFFFAOYSA-N
MW319.45 g/mol
LogP1.54
Rot. Bonds7

About N-[1-(dimethylamino)-1-oxobutan-2-yl]-3-methyl-2-(methylamino)-3-phenylbutanamide

N-[1-(dimethylamino)-1-oxobutan-2-yl]-3-methyl-2-(methylamino)-3-phenylbutanamide (PubChem CID 175143257) has the molecular formula C18H29N3O2 and a molecular weight of 319.45 g/mol. Its IUPAC name is N-[1-(dimethylamino)-1-oxobutan-2-yl]-3-methyl-2-(methylamino)-3-phenylbutanamide.

Molecular Properties

Compound NameN-[1-(dimethylamino)-1-oxobutan-2-yl]-3-methyl-2-(methylamino)-3-phenylbutanamide
PubChem CID175143257
Molecular FormulaC18H29N3O2
Molecular Weight319.45 g/mol
Exact Mass319.23
IUPAC NameN-[1-(dimethylamino)-1-oxobutan-2-yl]-3-methyl-2-(methylamino)-3-phenylbutanamide
SMILESCCC(NC(=O)C(NC)C(C)(C)c1ccccc1)C(=O)N(C)C
InChIInChI=1S/C18H29N3O2/c1-7-14(17(23)21(5)6)20-16(22)15(19-4)18(2,3)13-11-9-8-10-12-13/h8-12,14-15,19H,7H2,1-6H3,(H,20,22)
InChIKeyLMGZBGTYLOXBMT-UHFFFAOYSA-N
XLogP1.54
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.45
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R,4R)-4-[[(2S)-3,3-dimethyl-2-[[(2R)-3-methyl-2-(methylamino)-3-phenylbutanoyl]amino]butanoyl]-methylamino]-2,5-dimethylhexanoic acid
CID 10073663
(E,4S)-4-[[(2S)-3,3-dimethyl-2-[[3-methyl-2-(methylamino)-3-phenylbutanoyl]amino]butanoyl]-methylamino]-2,5-dimethylhept-2-enoic acid
CID 58822347
ethyl (4S)-4-[[(2S)-3,3-dimethyl-2-[[3-methyl-2-(methylamino)-3-phenylbutanoyl]amino]butanoyl]-methylamino]-2-methylhex-2-enoate
CID 90806802
methyl (E)-4-[[3,3-dimethyl-2-[[(2S)-3-methyl-2-(methylamino)-3-phenylbutanoyl]amino]butanoyl]-methylamino]-2-methylbut-2-enoate;propane
CID 142877288
methyl (E)-4-[[3,3-dimethyl-2-[[(2S)-3-methyl-2-(methylamino)-3-phenylbutanoyl]amino]butanoyl]-methylamino]-2-methylbut-2-enoate
CID 142877289
(E,4S)-4-[[(2S)-3,3-dimethyl-2-[[(2R)-3-methyl-2-(methylamino)-3-phenylbutanoyl]amino]butanoyl]-methylamino]-2,5-dimethylhex-2-enoic acid
CID 11123577
ethyl (4R)-4-[[(2S)-3,3-dimethyl-2-[[(2S)-3-methyl-2-(methylamino)-3-phenylbutanoyl]amino]butanoyl]-methylamino]-2,5-dimethylhex-2-enoate
CID 90999830
ethyl (4S)-4-[[(2S)-3,3-dimethyl-2-[[(2R)-3-methyl-2-(methylamino)-3-phenylbutanoyl]amino]butanoyl]-methylamino]-2,5-dimethylhex-2-enoate
CID 91259700
(4S)-4-[[(2S)-3,3-dimethyl-2-[[(2S)-3-methyl-2-(methylamino)-3-phenylbutanoyl]amino]butanoyl]amino]-2-ethyl-5-methylhex-2-enoic acid
CID 91604301
2-anilino-N,N-dimethylbutanamide
CID 137320686
2-[[(E)-4-[[3,3-dimethyl-2-[[3-methyl-2-(methylamino)-3-phenylbutanoyl]amino]butanoyl]-methylamino]-2-methylbut-2-enoyl]amino]-3-sulfinopropanoic acid
CID 154937968
6-[[3,3-dimethyl-2-[[3-methyl-2-(methylamino)-3-phenylbutanoyl]amino]butanoyl]-methylamino]-2,4,7-trimethylocta-2,4-dienoic acid
CID 73061257

Frequently Asked Questions

What is the IUPAC name of N-[1-(dimethylamino)-1-oxobutan-2-yl]-3-methyl-2-(methylamino)-3-phenylbutanamide?
The IUPAC name of N-[1-(dimethylamino)-1-oxobutan-2-yl]-3-methyl-2-(methylamino)-3-phenylbutanamide (CID 175143257) is N-[1-(dimethylamino)-1-oxobutan-2-yl]-3-methyl-2-(methylamino)-3-phenylbutanamide.
What is the SMILES notation for N-[1-(dimethylamino)-1-oxobutan-2-yl]-3-methyl-2-(methylamino)-3-phenylbutanamide?
The canonical SMILES for N-[1-(dimethylamino)-1-oxobutan-2-yl]-3-methyl-2-(methylamino)-3-phenylbutanamide is CCC(NC(=O)C(NC)C(C)(C)c1ccccc1)C(=O)N(C)C.
What is the InChIKey of N-[1-(dimethylamino)-1-oxobutan-2-yl]-3-methyl-2-(methylamino)-3-phenylbutanamide?
The InChIKey is LMGZBGTYLOXBMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3O2/c1-7-14(17(23)21(5)6)20-16(22)15(19-4)18(2,3)13-11-9-8-10-12-13/h8-12,14-15,19H,7H2,1-6H3,(H,20,22).
What are the key properties of N-[1-(dimethylamino)-1-oxobutan-2-yl]-3-methyl-2-(methylamino)-3-phenylbutanamide?
N-[1-(dimethylamino)-1-oxobutan-2-yl]-3-methyl-2-(methylamino)-3-phenylbutanamide has a molecular weight of 319.45 g/mol, XLogP of 1.54, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(dimethylamino)-1-oxobutan-2-yl]-3-methyl-2-(methylamino)-3-phenylbutanamide is sourced from PubChem (CID 175143257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).