N-[1-[benzyl(cyclopropyl)amino]-3-methyl-1-oxobutan-2-yl]-3,5-dimethoxybenzamide

C24H30N2O4 — CID 112812559

IUPACN-[1-[benzyl(cyclopropyl)amino]-3-methyl-1-oxobutan-2-yl]-3,5-dimethoxybenzamide
SMILESCOc1cc(OC)cc(C(=O)NC(C(=O)N(Cc2ccccc2)C2CC2)C(C)C)c1
InChIInChI=1S/C24H30N2O4/c1-16(2)22(25-23(27)18-12-20(29-3)14-21(13-18)30-4)24(28)26(19-10-11-19)15-17-8-6-5-7-9-17/h5-9,12-14,16,19,22H,10-11,15H2,1-4H3,(H,25,27)
InChIKeyBNXRKIAOKZSREN-UHFFFAOYSA-N
MW410.51 g/mol
LogP3.65
Rot. Bonds9

About N-[1-[benzyl(cyclopropyl)amino]-3-methyl-1-oxobutan-2-yl]-3,5-dimethoxybenzamide

N-[1-[benzyl(cyclopropyl)amino]-3-methyl-1-oxobutan-2-yl]-3,5-dimethoxybenzamide (PubChem CID 112812559) has the molecular formula C24H30N2O4 and a molecular weight of 410.51 g/mol. Its IUPAC name is N-[1-[benzyl(cyclopropyl)amino]-3-methyl-1-oxobutan-2-yl]-3,5-dimethoxybenzamide.

Molecular Properties

Compound NameN-[1-[benzyl(cyclopropyl)amino]-3-methyl-1-oxobutan-2-yl]-3,5-dimethoxybenzamide
PubChem CID112812559
Molecular FormulaC24H30N2O4
Molecular Weight410.51 g/mol
Exact Mass410.22
IUPAC NameN-[1-[benzyl(cyclopropyl)amino]-3-methyl-1-oxobutan-2-yl]-3,5-dimethoxybenzamide
SMILESCOc1cc(OC)cc(C(=O)NC(C(=O)N(Cc2ccccc2)C2CC2)C(C)C)c1
InChIInChI=1S/C24H30N2O4/c1-16(2)22(25-23(27)18-12-20(29-3)14-21(13-18)30-4)24(28)26(19-10-11-19)15-17-8-6-5-7-9-17/h5-9,12-14,16,19,22H,10-11,15H2,1-4H3,(H,25,27)
InChIKeyBNXRKIAOKZSREN-UHFFFAOYSA-N
XLogP3.65
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.51
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Troxipide
CID 5597
N-(1-benzylpiperidin-4-yl)-3,5-dimethoxybenzamide
CID 14514271
3-Methoxy-N-piperidin-4-yl-benzamide
CID 1445157
3-methoxy-N-(4-phenylbutan-2-yl)benzamide
CID 2914414
3,5-dimethoxy-N-(4-phenylbutan-2-yl)benzamide
CID 2915995
Tricetamide
CID 67763
N-Benzyl-3,4,5-trimethoxybenzamide
CID 736962
N-benzhydryl-3,5-dimethoxybenzamide
CID 873122
3-(difluoromethoxy)-N-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]benzamide
CID 2105607
3-methoxy-N-[(1-piperidin-1-ylcyclohexyl)methyl]benzamide
CID 2462542
3-ethoxy-N-(2-methyl-1-phenylpropyl)benzamide
CID 2974778
4-(3,5-Dimethoxy-4-methylbenzoyl)piperazin-2-one
CID 4790851

Frequently Asked Questions

What is the IUPAC name of N-[1-[benzyl(cyclopropyl)amino]-3-methyl-1-oxobutan-2-yl]-3,5-dimethoxybenzamide?
The IUPAC name of N-[1-[benzyl(cyclopropyl)amino]-3-methyl-1-oxobutan-2-yl]-3,5-dimethoxybenzamide (CID 112812559) is N-[1-[benzyl(cyclopropyl)amino]-3-methyl-1-oxobutan-2-yl]-3,5-dimethoxybenzamide.
What is the SMILES notation for N-[1-[benzyl(cyclopropyl)amino]-3-methyl-1-oxobutan-2-yl]-3,5-dimethoxybenzamide?
The canonical SMILES for N-[1-[benzyl(cyclopropyl)amino]-3-methyl-1-oxobutan-2-yl]-3,5-dimethoxybenzamide is COc1cc(OC)cc(C(=O)NC(C(=O)N(Cc2ccccc2)C2CC2)C(C)C)c1.
What is the InChIKey of N-[1-[benzyl(cyclopropyl)amino]-3-methyl-1-oxobutan-2-yl]-3,5-dimethoxybenzamide?
The InChIKey is BNXRKIAOKZSREN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N2O4/c1-16(2)22(25-23(27)18-12-20(29-3)14-21(13-18)30-4)24(28)26(19-10-11-19)15-17-8-6-5-7-9-17/h5-9,12-14,16,19,22H,10-11,15H2,1-4H3,(H,25,27).
What are the key properties of N-[1-[benzyl(cyclopropyl)amino]-3-methyl-1-oxobutan-2-yl]-3,5-dimethoxybenzamide?
N-[1-[benzyl(cyclopropyl)amino]-3-methyl-1-oxobutan-2-yl]-3,5-dimethoxybenzamide has a molecular weight of 410.51 g/mol, XLogP of 3.65, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[benzyl(cyclopropyl)amino]-3-methyl-1-oxobutan-2-yl]-3,5-dimethoxybenzamide is sourced from PubChem (CID 112812559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).