(2S)-N-ethyl-N-methyl-2-[(4-phenylmethoxyphenyl)carbamoylamino]propanamide

C20H25N3O3 — CID 124735239

IUPAC(2S)-N-ethyl-N-methyl-2-[(4-phenylmethoxyphenyl)carbamoylamino]propanamide
SMILESCCN(C)C(=O)[C@H](C)NC(=O)Nc1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C20H25N3O3/c1-4-23(3)19(24)15(2)21-20(25)22-17-10-12-18(13-11-17)26-14-16-8-6-5-7-9-16/h5-13,15H,4,14H2,1-3H3,(H2,21,22,25)/t15-/m0/s1
InChIKeyNLGXHDBBIWNXID-HNNXBMFYSA-N
MW355.44 g/mol
LogP3.25
Rot. Bonds7

About (2S)-N-ethyl-N-methyl-2-[(4-phenylmethoxyphenyl)carbamoylamino]propanamide

(2S)-N-ethyl-N-methyl-2-[(4-phenylmethoxyphenyl)carbamoylamino]propanamide (PubChem CID 124735239) has the molecular formula C20H25N3O3 and a molecular weight of 355.44 g/mol. Its IUPAC name is (2S)-N-ethyl-N-methyl-2-[(4-phenylmethoxyphenyl)carbamoylamino]propanamide.

Molecular Properties

Compound Name(2S)-N-ethyl-N-methyl-2-[(4-phenylmethoxyphenyl)carbamoylamino]propanamide
PubChem CID124735239
Molecular FormulaC20H25N3O3
Molecular Weight355.44 g/mol
Exact Mass355.19
IUPAC Name(2S)-N-ethyl-N-methyl-2-[(4-phenylmethoxyphenyl)carbamoylamino]propanamide
SMILESCCN(C)C(=O)[C@H](C)NC(=O)Nc1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C20H25N3O3/c1-4-23(3)19(24)15(2)21-20(25)22-17-10-12-18(13-11-17)26-14-16-8-6-5-7-9-16/h5-13,15H,4,14H2,1-3H3,(H2,21,22,25)/t15-/m0/s1
InChIKeyNLGXHDBBIWNXID-HNNXBMFYSA-N
XLogP3.25
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.44
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-phenylmethoxyphenyl)-3-propan-2-ylurea
CID 110755142
2-(carbamoylamino)-N-(4-phenylmethoxyphenyl)propanamide
CID 4638854
N-[4-(dimethylamino)phenyl]-2-(4-phenylmethoxyanilino)propanamide
CID 154774074
[(2R)-3-carboxy-2-[(4-phenylmethoxyphenyl)carbamoylamino]propyl]-trimethylazanium
CID 25065916
(2S)-N,N-dimethyl-2-[(2-phenylmethoxy-4-pyridinyl)carbamoylamino]propanamide
CID 122159596
2-(4-phenylmethoxyanilino)propanoic acid
CID 22078170
1-(1-cyanopropan-2-yl)-1-methyl-3-(4-phenylmethoxyphenyl)urea
CID 71857269
(2S)-2-[(2S)-1-oxo-1-(4-phenylmethoxyanilino)propan-2-yl]sulfanyl-N-(4-phenylmethoxyphenyl)propanamide
CID 98384376
1-(4-phenylmethoxyphenyl)-3-(2-propan-2-yloxyphenyl)urea
CID 108992099
N-ethyl-2-[[3-(1-hydroxyethyl)phenyl]carbamoylamino]-N-methylpropanamide
CID 103113367
1-(2,5-dimethylpyrazol-3-yl)-3-(4-phenylmethoxyphenyl)urea
CID 2811727
N-[1-[ethyl-[(4-phenylmethoxyphenyl)methyl]amino]-1-oxopropan-2-yl]-2,2-dimethylpropanamide
CID 43047484

Frequently Asked Questions

What is the IUPAC name of (2S)-N-ethyl-N-methyl-2-[(4-phenylmethoxyphenyl)carbamoylamino]propanamide?
The IUPAC name of (2S)-N-ethyl-N-methyl-2-[(4-phenylmethoxyphenyl)carbamoylamino]propanamide (CID 124735239) is (2S)-N-ethyl-N-methyl-2-[(4-phenylmethoxyphenyl)carbamoylamino]propanamide.
What is the SMILES notation for (2S)-N-ethyl-N-methyl-2-[(4-phenylmethoxyphenyl)carbamoylamino]propanamide?
The canonical SMILES for (2S)-N-ethyl-N-methyl-2-[(4-phenylmethoxyphenyl)carbamoylamino]propanamide is CCN(C)C(=O)[C@H](C)NC(=O)Nc1ccc(OCc2ccccc2)cc1.
What is the InChIKey of (2S)-N-ethyl-N-methyl-2-[(4-phenylmethoxyphenyl)carbamoylamino]propanamide?
The InChIKey is NLGXHDBBIWNXID-HNNXBMFYSA-N. The full InChI is InChI=1S/C20H25N3O3/c1-4-23(3)19(24)15(2)21-20(25)22-17-10-12-18(13-11-17)26-14-16-8-6-5-7-9-16/h5-13,15H,4,14H2,1-3H3,(H2,21,22,25)/t15-/m0/s1.
What are the key properties of (2S)-N-ethyl-N-methyl-2-[(4-phenylmethoxyphenyl)carbamoylamino]propanamide?
(2S)-N-ethyl-N-methyl-2-[(4-phenylmethoxyphenyl)carbamoylamino]propanamide has a molecular weight of 355.44 g/mol, XLogP of 3.25, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-ethyl-N-methyl-2-[(4-phenylmethoxyphenyl)carbamoylamino]propanamide is sourced from PubChem (CID 124735239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).