(2S)-2-(carbamoylamino)-N-(4-phenylmethoxyphenyl)propanamide

C17H19N3O3 — CID 2417741

IUPAC(2S)-2-(carbamoylamino)-N-(4-phenylmethoxyphenyl)propanamide
SMILESC[C@H](NC(N)=O)C(=O)Nc1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C17H19N3O3/c1-12(19-17(18)22)16(21)20-14-7-9-15(10-8-14)23-11-13-5-3-2-4-6-13/h2-10,12H,11H2,1H3,(H,20,21)(H3,18,19,22)/t12-/m0/s1
InChIKeyHCEIOBBVDGWTKR-LBPRGKRZSA-N
MW313.36 g/mol
LogP2.26
Rot. Bonds6

About (2S)-2-(carbamoylamino)-N-(4-phenylmethoxyphenyl)propanamide

(2S)-2-(carbamoylamino)-N-(4-phenylmethoxyphenyl)propanamide (PubChem CID 2417741) has the molecular formula C17H19N3O3 and a molecular weight of 313.36 g/mol. Its IUPAC name is (2S)-2-(carbamoylamino)-N-(4-phenylmethoxyphenyl)propanamide.

Molecular Properties

Compound Name(2S)-2-(carbamoylamino)-N-(4-phenylmethoxyphenyl)propanamide
PubChem CID2417741
Molecular FormulaC17H19N3O3
Molecular Weight313.36 g/mol
Exact Mass313.14
IUPAC Name(2S)-2-(carbamoylamino)-N-(4-phenylmethoxyphenyl)propanamide
SMILESC[C@H](NC(N)=O)C(=O)Nc1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C17H19N3O3/c1-12(19-17(18)22)16(21)20-14-7-9-15(10-8-14)23-11-13-5-3-2-4-6-13/h2-10,12H,11H2,1H3,(H,20,21)(H3,18,19,22)/t12-/m0/s1
InChIKeyHCEIOBBVDGWTKR-LBPRGKRZSA-N
XLogP2.26
TPSA93.45 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.36
LogP ≤ 52.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

Cilostamide
CID 2753
Sembragiline
CID 10246762
2-Ethoxy-2'-ethyloxanilide
CID 90303
N-[4-(benzyloxy)phenyl]glycinamide
CID 22690393
4-amino-N-[4-(benzyloxy)phenyl]butanamide
CID 22692237
Propetamide
CID 68937
N-[2-(4-methoxyanilino)-2-oxoethyl]-N-methyl-1-phenylcyclopentane-1-carboxamide
CID 4880035
(2S)-N-[(2S)-1-[(4-methoxyphenyl)amino]propan-2-yl]-4-methyl-2-[(3-methylphenyl)formamido]pentanamide
CID 23648358
(2S)-N-[(2R)-1-[(4-methoxyphenyl)amino]propan-2-yl]-4-methyl-2-[(3-methylphenyl)formamido]pentanamide
CID 23648359
Arylaminoethyl amide deriv. 26
CID 23648399
Ucm 765
CID 24749950
AAE-M-PBP-amine
CID 24763223

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(carbamoylamino)-N-(4-phenylmethoxyphenyl)propanamide?
The IUPAC name of (2S)-2-(carbamoylamino)-N-(4-phenylmethoxyphenyl)propanamide (CID 2417741) is (2S)-2-(carbamoylamino)-N-(4-phenylmethoxyphenyl)propanamide.
What is the SMILES notation for (2S)-2-(carbamoylamino)-N-(4-phenylmethoxyphenyl)propanamide?
The canonical SMILES for (2S)-2-(carbamoylamino)-N-(4-phenylmethoxyphenyl)propanamide is C[C@H](NC(N)=O)C(=O)Nc1ccc(OCc2ccccc2)cc1.
What is the InChIKey of (2S)-2-(carbamoylamino)-N-(4-phenylmethoxyphenyl)propanamide?
The InChIKey is HCEIOBBVDGWTKR-LBPRGKRZSA-N. The full InChI is InChI=1S/C17H19N3O3/c1-12(19-17(18)22)16(21)20-14-7-9-15(10-8-14)23-11-13-5-3-2-4-6-13/h2-10,12H,11H2,1H3,(H,20,21)(H3,18,19,22)/t12-/m0/s1.
What are the key properties of (2S)-2-(carbamoylamino)-N-(4-phenylmethoxyphenyl)propanamide?
(2S)-2-(carbamoylamino)-N-(4-phenylmethoxyphenyl)propanamide has a molecular weight of 313.36 g/mol, XLogP of 2.26, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(carbamoylamino)-N-(4-phenylmethoxyphenyl)propanamide is sourced from PubChem (CID 2417741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).