N-[1-[ethyl-[(4-phenylmethoxyphenyl)methyl]amino]-1-oxopropan-2-yl]-2,2-dimethylpropanamide

C24H32N2O3 — CID 43047484

IUPACN-[1-[ethyl-[(4-phenylmethoxyphenyl)methyl]amino]-1-oxopropan-2-yl]-2,2-dimethylpropanamide
SMILESCCN(Cc1ccc(OCc2ccccc2)cc1)C(=O)C(C)NC(=O)C(C)(C)C
InChIInChI=1S/C24H32N2O3/c1-6-26(22(27)18(2)25-23(28)24(3,4)5)16-19-12-14-21(15-13-19)29-17-20-10-8-7-9-11-20/h7-15,18H,6,16-17H2,1-5H3,(H,25,28)
InChIKeyNZOFYWYFCFRAFC-UHFFFAOYSA-N
MW396.53 g/mol
LogP4.16
Rot. Bonds8

About N-[1-[ethyl-[(4-phenylmethoxyphenyl)methyl]amino]-1-oxopropan-2-yl]-2,2-dimethylpropanamide

N-[1-[ethyl-[(4-phenylmethoxyphenyl)methyl]amino]-1-oxopropan-2-yl]-2,2-dimethylpropanamide (PubChem CID 43047484) has the molecular formula C24H32N2O3 and a molecular weight of 396.53 g/mol. Its IUPAC name is N-[1-[ethyl-[(4-phenylmethoxyphenyl)methyl]amino]-1-oxopropan-2-yl]-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[1-[ethyl-[(4-phenylmethoxyphenyl)methyl]amino]-1-oxopropan-2-yl]-2,2-dimethylpropanamide
PubChem CID43047484
Molecular FormulaC24H32N2O3
Molecular Weight396.53 g/mol
Exact Mass396.24
IUPAC NameN-[1-[ethyl-[(4-phenylmethoxyphenyl)methyl]amino]-1-oxopropan-2-yl]-2,2-dimethylpropanamide
SMILESCCN(Cc1ccc(OCc2ccccc2)cc1)C(=O)C(C)NC(=O)C(C)(C)C
InChIInChI=1S/C24H32N2O3/c1-6-26(22(27)18(2)25-23(28)24(3,4)5)16-19-12-14-21(15-13-19)29-17-20-10-8-7-9-11-20/h7-15,18H,6,16-17H2,1-5H3,(H,25,28)
InChIKeyNZOFYWYFCFRAFC-UHFFFAOYSA-N
XLogP4.16
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.53
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-benzyl-N-ethyl-2-(4-phenylmethoxyanilino)acetamide
CID 108999046
2-[[2-[ethyl-[(4-phenylmethoxyphenyl)methyl]amino]-2-oxoethyl]amino]-N-methylacetamide
CID 8772652
N,N-diethyl-4-phenylmethoxybenzamide
CID 4958372
N-[1-[ethyl(thiophen-2-ylmethyl)amino]-1-oxopropan-2-yl]-2,2-dimethylpropanamide
CID 134019558
(2S)-N-ethyl-N-methyl-2-[(4-phenylmethoxyphenyl)carbamoylamino]propanamide
CID 124735239
3-[methyl-[(4-phenylmethoxyphenyl)methyl]amino]propanoic acid
CID 119134997
N-[1-[2-aminoethyl(2-phenylethyl)amino]-1-oxopropan-2-yl]-2,2-dimethylpropanamide;hydrochloride
CID 120885093
(4-phenylmethoxyphenyl)methyl 2,2-dimethylpropanoate
CID 70968645
benzyl N-[(2S)-1-[(4-ethoxyphenyl)methyl-methylamino]-3-methyl-1-oxobutan-2-yl]carbamate
CID 55942821
[2-[benzyl(2,2,2-trifluoroethyl)amino]-2-oxoethyl] (2R)-2-(2,2-dimethylpropanoylamino)propanoate
CID 30393194
N-ethyl-N-[(4-phenylmethoxyphenyl)methyl]quinoxaline-2-carboxamide
CID 9489163
N-benzyl-2-bromo-N-ethylpropanamide
CID 82108939

Frequently Asked Questions

What is the IUPAC name of N-[1-[ethyl-[(4-phenylmethoxyphenyl)methyl]amino]-1-oxopropan-2-yl]-2,2-dimethylpropanamide?
The IUPAC name of N-[1-[ethyl-[(4-phenylmethoxyphenyl)methyl]amino]-1-oxopropan-2-yl]-2,2-dimethylpropanamide (CID 43047484) is N-[1-[ethyl-[(4-phenylmethoxyphenyl)methyl]amino]-1-oxopropan-2-yl]-2,2-dimethylpropanamide.
What is the SMILES notation for N-[1-[ethyl-[(4-phenylmethoxyphenyl)methyl]amino]-1-oxopropan-2-yl]-2,2-dimethylpropanamide?
The canonical SMILES for N-[1-[ethyl-[(4-phenylmethoxyphenyl)methyl]amino]-1-oxopropan-2-yl]-2,2-dimethylpropanamide is CCN(Cc1ccc(OCc2ccccc2)cc1)C(=O)C(C)NC(=O)C(C)(C)C.
What is the InChIKey of N-[1-[ethyl-[(4-phenylmethoxyphenyl)methyl]amino]-1-oxopropan-2-yl]-2,2-dimethylpropanamide?
The InChIKey is NZOFYWYFCFRAFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N2O3/c1-6-26(22(27)18(2)25-23(28)24(3,4)5)16-19-12-14-21(15-13-19)29-17-20-10-8-7-9-11-20/h7-15,18H,6,16-17H2,1-5H3,(H,25,28).
What are the key properties of N-[1-[ethyl-[(4-phenylmethoxyphenyl)methyl]amino]-1-oxopropan-2-yl]-2,2-dimethylpropanamide?
N-[1-[ethyl-[(4-phenylmethoxyphenyl)methyl]amino]-1-oxopropan-2-yl]-2,2-dimethylpropanamide has a molecular weight of 396.53 g/mol, XLogP of 4.16, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[ethyl-[(4-phenylmethoxyphenyl)methyl]amino]-1-oxopropan-2-yl]-2,2-dimethylpropanamide is sourced from PubChem (CID 43047484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).