(2S)-3-methoxy-2-(naphthalen-1-ylcarbamoylamino)propanamide

C15H17N3O3 — CID 99796982

IUPAC(2S)-3-methoxy-2-(naphthalen-1-ylcarbamoylamino)propanamide
SMILESCOC[C@H](NC(=O)Nc1cccc2ccccc12)C(N)=O
InChIInChI=1S/C15H17N3O3/c1-21-9-13(14(16)19)18-15(20)17-12-8-4-6-10-5-2-3-7-11(10)12/h2-8,13H,9H2,1H3,(H2,16,19)(H2,17,18,20)/t13-/m0/s1
InChIKeyBWWLAAAQTSCRME-ZDUSSCGKSA-N
MW287.32 g/mol
LogP1.46
Rot. Bonds5

About (2S)-3-methoxy-2-(naphthalen-1-ylcarbamoylamino)propanamide

(2S)-3-methoxy-2-(naphthalen-1-ylcarbamoylamino)propanamide (PubChem CID 99796982) has the molecular formula C15H17N3O3 and a molecular weight of 287.32 g/mol. Its IUPAC name is (2S)-3-methoxy-2-(naphthalen-1-ylcarbamoylamino)propanamide.

Molecular Properties

Compound Name(2S)-3-methoxy-2-(naphthalen-1-ylcarbamoylamino)propanamide
PubChem CID99796982
Molecular FormulaC15H17N3O3
Molecular Weight287.32 g/mol
Exact Mass287.13
IUPAC Name(2S)-3-methoxy-2-(naphthalen-1-ylcarbamoylamino)propanamide
SMILESCOC[C@H](NC(=O)Nc1cccc2ccccc12)C(N)=O
InChIInChI=1S/C15H17N3O3/c1-21-9-13(14(16)19)18-15(20)17-12-8-4-6-10-5-2-3-7-11(10)12/h2-8,13H,9H2,1H3,(H2,16,19)(H2,17,18,20)/t13-/m0/s1
InChIKeyBWWLAAAQTSCRME-ZDUSSCGKSA-N
XLogP1.46
TPSA93.45 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 51.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-methoxybutan-2-yl)-3-naphthalen-1-ylurea
CID 60615932
(2R)-2-(naphthalen-1-ylcarbamoylamino)butanedioic acid
CID 40606625
1-[(2R)-1-aminopropan-2-yl]-3-naphthalen-1-ylurea
CID 104877165
1-[(2S)-butan-2-yl]-3-naphthalen-1-ylurea
CID 2241028
(2R)-2-(naphthalen-1-ylcarbamoylamino)pentanedioic acid
CID 95559600
2-[(2-aminophenyl)carbamoylamino]-3-methoxypropanoic acid
CID 81084615
(2S)-4-hydroxy-2-(naphthalen-1-ylcarbamoylamino)butanoic acid
CID 107823831
1-naphthalen-1-yl-3-[2-(naphthalen-1-ylcarbamoylamino)phenyl]urea
CID 177491059
1-naphthalen-1-yl-3-[5-(naphthalen-1-ylcarbamoylamino)naphthalen-1-yl]urea
CID 27190755
naphthalen-1-ylurea;hydrochloride
CID 141142203
2-hydroxy-3-(naphthalen-1-ylcarbamoylamino)propanamide
CID 107258515
1-(1-cyanoethyl)-3-naphthalen-1-ylurea
CID 54904343

Frequently Asked Questions

What is the IUPAC name of (2S)-3-methoxy-2-(naphthalen-1-ylcarbamoylamino)propanamide?
The IUPAC name of (2S)-3-methoxy-2-(naphthalen-1-ylcarbamoylamino)propanamide (CID 99796982) is (2S)-3-methoxy-2-(naphthalen-1-ylcarbamoylamino)propanamide.
What is the SMILES notation for (2S)-3-methoxy-2-(naphthalen-1-ylcarbamoylamino)propanamide?
The canonical SMILES for (2S)-3-methoxy-2-(naphthalen-1-ylcarbamoylamino)propanamide is COC[C@H](NC(=O)Nc1cccc2ccccc12)C(N)=O.
What is the InChIKey of (2S)-3-methoxy-2-(naphthalen-1-ylcarbamoylamino)propanamide?
The InChIKey is BWWLAAAQTSCRME-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H17N3O3/c1-21-9-13(14(16)19)18-15(20)17-12-8-4-6-10-5-2-3-7-11(10)12/h2-8,13H,9H2,1H3,(H2,16,19)(H2,17,18,20)/t13-/m0/s1.
What are the key properties of (2S)-3-methoxy-2-(naphthalen-1-ylcarbamoylamino)propanamide?
(2S)-3-methoxy-2-(naphthalen-1-ylcarbamoylamino)propanamide has a molecular weight of 287.32 g/mol, XLogP of 1.46, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3-methoxy-2-(naphthalen-1-ylcarbamoylamino)propanamide is sourced from PubChem (CID 99796982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).