(2R)-N-[(2S)-butan-2-yl]-2-(naphthalen-1-ylcarbamoylamino)propanamide

C18H23N3O2 — CID 52506002

IUPAC(2R)-N-[(2S)-butan-2-yl]-2-(naphthalen-1-ylcarbamoylamino)propanamide
SMILESCC[C@H](C)NC(=O)[C@@H](C)NC(=O)Nc1cccc2ccccc12
InChIInChI=1S/C18H23N3O2/c1-4-12(2)19-17(22)13(3)20-18(23)21-16-11-7-9-14-8-5-6-10-15(14)16/h5-13H,4H2,1-3H3,(H,19,22)(H2,20,21,23)/t12-,13+/m0/s1
InChIKeyBMZDSKVAXKBKJQ-QWHCGFSZSA-N
MW313.40 g/mol
LogP3.26
Rot. Bonds5

About (2R)-N-[(2S)-butan-2-yl]-2-(naphthalen-1-ylcarbamoylamino)propanamide

(2R)-N-[(2S)-butan-2-yl]-2-(naphthalen-1-ylcarbamoylamino)propanamide (PubChem CID 52506002) has the molecular formula C18H23N3O2 and a molecular weight of 313.40 g/mol. Its IUPAC name is (2R)-N-[(2S)-butan-2-yl]-2-(naphthalen-1-ylcarbamoylamino)propanamide.

Molecular Properties

Compound Name(2R)-N-[(2S)-butan-2-yl]-2-(naphthalen-1-ylcarbamoylamino)propanamide
PubChem CID52506002
Molecular FormulaC18H23N3O2
Molecular Weight313.40 g/mol
Exact Mass313.18
IUPAC Name(2R)-N-[(2S)-butan-2-yl]-2-(naphthalen-1-ylcarbamoylamino)propanamide
SMILESCC[C@H](C)NC(=O)[C@@H](C)NC(=O)Nc1cccc2ccccc12
InChIInChI=1S/C18H23N3O2/c1-4-12(2)19-17(22)13(3)20-18(23)21-16-11-7-9-14-8-5-6-10-15(14)16/h5-13H,4H2,1-3H3,(H,19,22)(H2,20,21,23)/t12-,13+/m0/s1
InChIKeyBMZDSKVAXKBKJQ-QWHCGFSZSA-N
XLogP3.26
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 53.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(2S)-butan-2-yl]-3-naphthalen-1-ylurea
CID 2241028
1-[(2R)-1-aminopropan-2-yl]-3-naphthalen-1-ylurea
CID 104877165
(2R)-2-[[(2R)-2-(naphthalen-1-ylcarbamoylamino)propanoyl]amino]-3-phenylpropanoic acid
CID 40571772
3-[[(2S)-1-[[(2S)-butan-2-yl]amino]-1-oxopropan-2-yl]carbamoylamino]-N,2-dimethylbenzamide
CID 95239461
(2R)-2-[[2-[[acetyl(methyl)amino]methyl]phenyl]carbamoylamino]-N-[(2R)-butan-2-yl]propanamide
CID 94959778
1-(4-methoxybutan-2-yl)-3-naphthalen-1-ylurea
CID 60615932
1-(1-cyanoethyl)-3-naphthalen-1-ylurea
CID 54904343
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
1-butan-2-yl-3-(2-sulfanylphenyl)urea
CID 108886298
1-[(2R)-butan-2-yl]-3-quinolin-5-ylurea
CID 51928178
1-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-3-naphthalen-1-ylurea
CID 40647880

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[(2S)-butan-2-yl]-2-(naphthalen-1-ylcarbamoylamino)propanamide?
The IUPAC name of (2R)-N-[(2S)-butan-2-yl]-2-(naphthalen-1-ylcarbamoylamino)propanamide (CID 52506002) is (2R)-N-[(2S)-butan-2-yl]-2-(naphthalen-1-ylcarbamoylamino)propanamide.
What is the SMILES notation for (2R)-N-[(2S)-butan-2-yl]-2-(naphthalen-1-ylcarbamoylamino)propanamide?
The canonical SMILES for (2R)-N-[(2S)-butan-2-yl]-2-(naphthalen-1-ylcarbamoylamino)propanamide is CC[C@H](C)NC(=O)[C@@H](C)NC(=O)Nc1cccc2ccccc12.
What is the InChIKey of (2R)-N-[(2S)-butan-2-yl]-2-(naphthalen-1-ylcarbamoylamino)propanamide?
The InChIKey is BMZDSKVAXKBKJQ-QWHCGFSZSA-N. The full InChI is InChI=1S/C18H23N3O2/c1-4-12(2)19-17(22)13(3)20-18(23)21-16-11-7-9-14-8-5-6-10-15(14)16/h5-13H,4H2,1-3H3,(H,19,22)(H2,20,21,23)/t12-,13+/m0/s1.
What are the key properties of (2R)-N-[(2S)-butan-2-yl]-2-(naphthalen-1-ylcarbamoylamino)propanamide?
(2R)-N-[(2S)-butan-2-yl]-2-(naphthalen-1-ylcarbamoylamino)propanamide has a molecular weight of 313.40 g/mol, XLogP of 3.26, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[(2S)-butan-2-yl]-2-(naphthalen-1-ylcarbamoylamino)propanamide is sourced from PubChem (CID 52506002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).