N-[4-(cyclopropylmethylamino)-3-hydroxy-4-oxobutan-2-yl]benzamide

C15H20N2O3 — CID 134349733

IUPACN-[4-(cyclopropylmethylamino)-3-hydroxy-4-oxobutan-2-yl]benzamide
SMILESCC(NC(=O)c1ccccc1)C(O)C(=O)NCC1CC1
InChIInChI=1S/C15H20N2O3/c1-10(13(18)15(20)16-9-11-7-8-11)17-14(19)12-5-3-2-4-6-12/h2-6,10-11,13,18H,7-9H2,1H3,(H,16,20)(H,17,19)
InChIKeyUPYHHFZMQPCICY-UHFFFAOYSA-N
MW276.34 g/mol
LogP0.69
Rot. Bonds6

About N-[4-(cyclopropylmethylamino)-3-hydroxy-4-oxobutan-2-yl]benzamide

N-[4-(cyclopropylmethylamino)-3-hydroxy-4-oxobutan-2-yl]benzamide (PubChem CID 134349733) has the molecular formula C15H20N2O3 and a molecular weight of 276.34 g/mol. Its IUPAC name is N-[4-(cyclopropylmethylamino)-3-hydroxy-4-oxobutan-2-yl]benzamide.

Molecular Properties

Compound NameN-[4-(cyclopropylmethylamino)-3-hydroxy-4-oxobutan-2-yl]benzamide
PubChem CID134349733
Molecular FormulaC15H20N2O3
Molecular Weight276.34 g/mol
Exact Mass276.15
IUPAC NameN-[4-(cyclopropylmethylamino)-3-hydroxy-4-oxobutan-2-yl]benzamide
SMILESCC(NC(=O)c1ccccc1)C(O)C(=O)NCC1CC1
InChIInChI=1S/C15H20N2O3/c1-10(13(18)15(20)16-9-11-7-8-11)17-14(19)12-5-3-2-4-6-12/h2-6,10-11,13,18H,7-9H2,1H3,(H,16,20)(H,17,19)
InChIKeyUPYHHFZMQPCICY-UHFFFAOYSA-N
XLogP0.69
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 50.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2S,3R)-1-(cyclohexylmethylamino)-3-methyl-1-oxopentan-2-yl]benzamide
CID 30785525
N-[(2R)-4-(cyclopropylmethylamino)-4-oxobutan-2-yl]benzamide
CID 51648995
N-[4-(cyclopropylmethylamino)-4-oxobutan-2-yl]benzamide
CID 24667186
N-(cyclopropylmethyl)-3-(N-formylanilino)-2-hydroxybutanamide
CID 134349732
methyl 4-[[[4-(benzylamino)-2,3-dihydroxy-4-oxobutanoyl]amino]methyl]cyclohexane-1-carboxylate
CID 68786677
N-[[4-(2-methylpropanoylamino)cyclohexyl]methylcarbamothioyl]benzamide
CID 22253971
3-(benzenesulfonamido)-N-(cyclohexylmethyl)-2-hydroxybutanamide
CID 134349887
4-[[[(2R,3R)-4-(benzylamino)-2,3-dihydroxy-4-oxobutanoyl]amino]methyl]cyclohexane-1-carboxylic acid
CID 25003957
3-[(2-chlorophenyl)sulfonylamino]-N-(cyclopropylmethyl)-2-hydroxybutanamide
CID 134349706
N-[(4-bromocyclohexyl)methyl]benzamide
CID 106134088
N-[2-(cyclopropylmethylamino)-2-oxoethyl]benzamide
CID 25469630
N-[1-[[1-[(4-chlorophenyl)methyl]piperidin-4-yl]methylamino]-1-oxopropan-2-yl]benzamide
CID 508768

Frequently Asked Questions

What is the IUPAC name of N-[4-(cyclopropylmethylamino)-3-hydroxy-4-oxobutan-2-yl]benzamide?
The IUPAC name of N-[4-(cyclopropylmethylamino)-3-hydroxy-4-oxobutan-2-yl]benzamide (CID 134349733) is N-[4-(cyclopropylmethylamino)-3-hydroxy-4-oxobutan-2-yl]benzamide.
What is the SMILES notation for N-[4-(cyclopropylmethylamino)-3-hydroxy-4-oxobutan-2-yl]benzamide?
The canonical SMILES for N-[4-(cyclopropylmethylamino)-3-hydroxy-4-oxobutan-2-yl]benzamide is CC(NC(=O)c1ccccc1)C(O)C(=O)NCC1CC1.
What is the InChIKey of N-[4-(cyclopropylmethylamino)-3-hydroxy-4-oxobutan-2-yl]benzamide?
The InChIKey is UPYHHFZMQPCICY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O3/c1-10(13(18)15(20)16-9-11-7-8-11)17-14(19)12-5-3-2-4-6-12/h2-6,10-11,13,18H,7-9H2,1H3,(H,16,20)(H,17,19).
What are the key properties of N-[4-(cyclopropylmethylamino)-3-hydroxy-4-oxobutan-2-yl]benzamide?
N-[4-(cyclopropylmethylamino)-3-hydroxy-4-oxobutan-2-yl]benzamide has a molecular weight of 276.34 g/mol, XLogP of 0.69, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(cyclopropylmethylamino)-3-hydroxy-4-oxobutan-2-yl]benzamide is sourced from PubChem (CID 134349733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).