N-[2-[[(2S)-1-(3-methoxyphenyl)propan-2-yl]carbamoylamino]ethyl]acetamide

C15H23N3O3 — CID 97213130

IUPACN-[2-[[(2S)-1-(3-methoxyphenyl)propan-2-yl]carbamoylamino]ethyl]acetamide
SMILESCOc1cccc(C[C@H](C)NC(=O)NCCNC(C)=O)c1
InChIInChI=1S/C15H23N3O3/c1-11(9-13-5-4-6-14(10-13)21-3)18-15(20)17-8-7-16-12(2)19/h4-6,10-11H,7-9H2,1-3H3,(H,16,19)(H2,17,18,20)/t11-/m0/s1
InChIKeyVAASRIXACSKNIW-NSHDSACASA-N
MW293.37 g/mol
LogP1.06
Rot. Bonds7

About N-[2-[[(2S)-1-(3-methoxyphenyl)propan-2-yl]carbamoylamino]ethyl]acetamide

N-[2-[[(2S)-1-(3-methoxyphenyl)propan-2-yl]carbamoylamino]ethyl]acetamide (PubChem CID 97213130) has the molecular formula C15H23N3O3 and a molecular weight of 293.37 g/mol. Its IUPAC name is N-[2-[[(2S)-1-(3-methoxyphenyl)propan-2-yl]carbamoylamino]ethyl]acetamide.

Molecular Properties

Compound NameN-[2-[[(2S)-1-(3-methoxyphenyl)propan-2-yl]carbamoylamino]ethyl]acetamide
PubChem CID97213130
Molecular FormulaC15H23N3O3
Molecular Weight293.37 g/mol
Exact Mass293.17
IUPAC NameN-[2-[[(2S)-1-(3-methoxyphenyl)propan-2-yl]carbamoylamino]ethyl]acetamide
SMILESCOc1cccc(C[C@H](C)NC(=O)NCCNC(C)=O)c1
InChIInChI=1S/C15H23N3O3/c1-11(9-13-5-4-6-14(10-13)21-3)18-15(20)17-8-7-16-12(2)19/h4-6,10-11H,7-9H2,1-3H3,(H,16,19)(H2,17,18,20)/t11-/m0/s1
InChIKeyVAASRIXACSKNIW-NSHDSACASA-N
XLogP1.06
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 51.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-[1-(3-methoxyphenyl)propan-2-yl]-3-(4-methylpentyl)urea
CID 86943125
N-[1-(3-methoxyphenyl)propan-2-yl]acetamide
CID 541954
1-hexyl-3-[1-(3-methoxyphenyl)propan-2-yl]urea
CID 86943106
1-(2-hydroxy-2-phenylpropyl)-3-[1-(3-methoxyphenyl)propan-2-yl]urea
CID 111334657
N-[2-[(3-methoxyphenyl)carbamoylamino]ethyl]acetamide
CID 47140507
N-[(2R)-1-(3-methoxyphenyl)propan-2-yl]butanamide
CID 174918939
N-[1-(3-methoxyphenyl)propan-2-yl]butanamide
CID 174918913
N-[2-[2-(3-methoxyphenyl)ethylamino]ethyl]acetamide
CID 107852146
1-(3,4-difluorophenyl)-3-[1-(3-methoxyphenyl)propan-2-yl]urea
CID 86943626
1-[1-(3-methoxyphenyl)propan-2-yl]-3-[3-(2-methylpiperidin-1-yl)propyl]urea
CID 86943734
1-[1-(3-methoxyphenyl)propan-2-yl]-3-[(1-thiomorpholin-4-ylcyclopentyl)methyl]urea
CID 86943756
1-benzyl-3-[1-(3-methoxyphenyl)propan-2-yl]-1-propan-2-ylurea
CID 86943865

Frequently Asked Questions

What is the IUPAC name of N-[2-[[(2S)-1-(3-methoxyphenyl)propan-2-yl]carbamoylamino]ethyl]acetamide?
The IUPAC name of N-[2-[[(2S)-1-(3-methoxyphenyl)propan-2-yl]carbamoylamino]ethyl]acetamide (CID 97213130) is N-[2-[[(2S)-1-(3-methoxyphenyl)propan-2-yl]carbamoylamino]ethyl]acetamide.
What is the SMILES notation for N-[2-[[(2S)-1-(3-methoxyphenyl)propan-2-yl]carbamoylamino]ethyl]acetamide?
The canonical SMILES for N-[2-[[(2S)-1-(3-methoxyphenyl)propan-2-yl]carbamoylamino]ethyl]acetamide is COc1cccc(C[C@H](C)NC(=O)NCCNC(C)=O)c1.
What is the InChIKey of N-[2-[[(2S)-1-(3-methoxyphenyl)propan-2-yl]carbamoylamino]ethyl]acetamide?
The InChIKey is VAASRIXACSKNIW-NSHDSACASA-N. The full InChI is InChI=1S/C15H23N3O3/c1-11(9-13-5-4-6-14(10-13)21-3)18-15(20)17-8-7-16-12(2)19/h4-6,10-11H,7-9H2,1-3H3,(H,16,19)(H2,17,18,20)/t11-/m0/s1.
What are the key properties of N-[2-[[(2S)-1-(3-methoxyphenyl)propan-2-yl]carbamoylamino]ethyl]acetamide?
N-[2-[[(2S)-1-(3-methoxyphenyl)propan-2-yl]carbamoylamino]ethyl]acetamide has a molecular weight of 293.37 g/mol, XLogP of 1.06, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[(2S)-1-(3-methoxyphenyl)propan-2-yl]carbamoylamino]ethyl]acetamide is sourced from PubChem (CID 97213130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).