N-[1-[(3-amino-4-methylpentyl)-methylamino]-3-methyl-1-oxobutan-2-yl]-3-methylbenzamide

C20H33N3O2 — CID 119657822

IUPACN-[1-[(3-amino-4-methylpentyl)-methylamino]-3-methyl-1-oxobutan-2-yl]-3-methylbenzamide
SMILESCc1cccc(C(=O)NC(C(=O)N(C)CCC(N)C(C)C)C(C)C)c1
InChIInChI=1S/C20H33N3O2/c1-13(2)17(21)10-11-23(6)20(25)18(14(3)4)22-19(24)16-9-7-8-15(5)12-16/h7-9,12-14,17-18H,10-11,21H2,1-6H3,(H,22,24)
InChIKeyLWTDLRKXZPUKQR-UHFFFAOYSA-N
MW347.50 g/mol
LogP2.58
Rot. Bonds8

About N-[1-[(3-amino-4-methylpentyl)-methylamino]-3-methyl-1-oxobutan-2-yl]-3-methylbenzamide

N-[1-[(3-amino-4-methylpentyl)-methylamino]-3-methyl-1-oxobutan-2-yl]-3-methylbenzamide (PubChem CID 119657822) has the molecular formula C20H33N3O2 and a molecular weight of 347.50 g/mol. Its IUPAC name is N-[1-[(3-amino-4-methylpentyl)-methylamino]-3-methyl-1-oxobutan-2-yl]-3-methylbenzamide.

Molecular Properties

Compound NameN-[1-[(3-amino-4-methylpentyl)-methylamino]-3-methyl-1-oxobutan-2-yl]-3-methylbenzamide
PubChem CID119657822
Molecular FormulaC20H33N3O2
Molecular Weight347.50 g/mol
Exact Mass347.26
IUPAC NameN-[1-[(3-amino-4-methylpentyl)-methylamino]-3-methyl-1-oxobutan-2-yl]-3-methylbenzamide
SMILESCc1cccc(C(=O)NC(C(=O)N(C)CCC(N)C(C)C)C(C)C)c1
InChIInChI=1S/C20H33N3O2/c1-13(2)17(21)10-11-23(6)20(25)18(14(3)4)22-19(24)16-9-7-8-15(5)12-16/h7-9,12-14,17-18H,10-11,21H2,1-6H3,(H,22,24)
InChIKeyLWTDLRKXZPUKQR-UHFFFAOYSA-N
XLogP2.58
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.50
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-[(3-amino-4-methylpentyl)-methylamino]-3-methyl-1-oxobutan-2-yl]-4-chlorobenzamide
CID 119661014
N-[1-[benzyl(methyl)amino]-3-methyl-1-oxobutan-2-yl]-3-methylbenzamide
CID 51147840
N-[(2S)-1-[2-(4-methoxyphenoxy)ethyl-methylamino]-3-methyl-1-oxobutan-2-yl]-3-methylbenzamide
CID 31284995
N-[(2S)-1-[[(3R)-3-hydroxybutyl]-methylamino]-4-methylsulfanyl-1-oxobutan-2-yl]-3-methylbenzamide
CID 95972038
N-[(2S)-1-[ethyl(methyl)amino]-3-methyl-1-oxobutan-2-yl]-3-methoxybenzamide
CID 125144559
3-methyl-N-[(2S)-3-methylbutan-2-yl]benzamide
CID 94665537
3-methyl-N-(3-methylbutan-2-yl)benzamide
CID 18712138
N-[1-(1-hydroxypropan-2-ylamino)-3-methyl-1-oxobutan-2-yl]-3-methylbenzamide
CID 78856876
cyanomethyl (2S)-3-methyl-2-[(3-methylbenzoyl)amino]butanoate
CID 16564591
N-[(2R)-1-[[(2S)-1-(ethylamino)-1-oxopropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]-3-methylbenzamide
CID 39964519
N-[1-[(3-amino-2-methylpropyl)amino]-3-methyl-1-oxobutan-2-yl]-3-methylbenzamide
CID 119997662
N-(3-amino-4-methylpentyl)-N-methyl-3-(propanoylamino)benzamide
CID 119659582

Frequently Asked Questions

What is the IUPAC name of N-[1-[(3-amino-4-methylpentyl)-methylamino]-3-methyl-1-oxobutan-2-yl]-3-methylbenzamide?
The IUPAC name of N-[1-[(3-amino-4-methylpentyl)-methylamino]-3-methyl-1-oxobutan-2-yl]-3-methylbenzamide (CID 119657822) is N-[1-[(3-amino-4-methylpentyl)-methylamino]-3-methyl-1-oxobutan-2-yl]-3-methylbenzamide.
What is the SMILES notation for N-[1-[(3-amino-4-methylpentyl)-methylamino]-3-methyl-1-oxobutan-2-yl]-3-methylbenzamide?
The canonical SMILES for N-[1-[(3-amino-4-methylpentyl)-methylamino]-3-methyl-1-oxobutan-2-yl]-3-methylbenzamide is Cc1cccc(C(=O)NC(C(=O)N(C)CCC(N)C(C)C)C(C)C)c1.
What is the InChIKey of N-[1-[(3-amino-4-methylpentyl)-methylamino]-3-methyl-1-oxobutan-2-yl]-3-methylbenzamide?
The InChIKey is LWTDLRKXZPUKQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H33N3O2/c1-13(2)17(21)10-11-23(6)20(25)18(14(3)4)22-19(24)16-9-7-8-15(5)12-16/h7-9,12-14,17-18H,10-11,21H2,1-6H3,(H,22,24).
What are the key properties of N-[1-[(3-amino-4-methylpentyl)-methylamino]-3-methyl-1-oxobutan-2-yl]-3-methylbenzamide?
N-[1-[(3-amino-4-methylpentyl)-methylamino]-3-methyl-1-oxobutan-2-yl]-3-methylbenzamide has a molecular weight of 347.50 g/mol, XLogP of 2.58, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(3-amino-4-methylpentyl)-methylamino]-3-methyl-1-oxobutan-2-yl]-3-methylbenzamide is sourced from PubChem (CID 119657822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).