1-[(2R)-1-aminopropan-2-yl]-3-naphthalen-1-ylurea

C14H17N3O — CID 104877165

IUPAC1-[(2R)-1-aminopropan-2-yl]-3-naphthalen-1-ylurea
SMILESC[C@H](CN)NC(=O)Nc1cccc2ccccc12
InChIInChI=1S/C14H17N3O/c1-10(9-15)16-14(18)17-13-8-4-6-11-5-2-3-7-12(11)13/h2-8,10H,9,15H2,1H3,(H2,16,17,18)/t10-/m1/s1
InChIKeyBOSZASLALSZTNH-SNVBAGLBSA-N
MW243.31 g/mol
LogP2.31
Rot. Bonds3

About 1-[(2R)-1-aminopropan-2-yl]-3-naphthalen-1-ylurea

1-[(2R)-1-aminopropan-2-yl]-3-naphthalen-1-ylurea (PubChem CID 104877165) has the molecular formula C14H17N3O and a molecular weight of 243.31 g/mol. Its IUPAC name is 1-[(2R)-1-aminopropan-2-yl]-3-naphthalen-1-ylurea.

Molecular Properties

Compound Name1-[(2R)-1-aminopropan-2-yl]-3-naphthalen-1-ylurea
PubChem CID104877165
Molecular FormulaC14H17N3O
Molecular Weight243.31 g/mol
Exact Mass243.14
IUPAC Name1-[(2R)-1-aminopropan-2-yl]-3-naphthalen-1-ylurea
SMILESC[C@H](CN)NC(=O)Nc1cccc2ccccc12
InChIInChI=1S/C14H17N3O/c1-10(9-15)16-14(18)17-13-8-4-6-11-5-2-3-7-12(11)13/h2-8,10H,9,15H2,1H3,(H2,16,17,18)/t10-/m1/s1
InChIKeyBOSZASLALSZTNH-SNVBAGLBSA-N
XLogP2.31
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 52.31
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-(4-methoxybutan-2-yl)-3-naphthalen-1-ylurea
CID 60615932
(2R)-N-[(2S)-butan-2-yl]-2-(naphthalen-1-ylcarbamoylamino)propanamide
CID 52506002
1-(1-cyanoethyl)-3-naphthalen-1-ylurea
CID 54904343
1-naphthalen-1-yl-3-[5-(naphthalen-1-ylcarbamoylamino)naphthalen-1-yl]urea
CID 27190755
1-naphthalen-1-yl-3-[2-(naphthalen-1-ylcarbamoylamino)phenyl]urea
CID 177491059
1-(1-aminopropan-2-yl)-3-phenylurea
CID 23364218
1-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-3-naphthalen-1-ylurea
CID 40647880
(2S)-3-methoxy-2-(naphthalen-1-ylcarbamoylamino)propanamide
CID 99796982
1-(2-hydroxypropyl)-3-naphthalen-1-ylurea
CID 17468556
(2R)-2-(naphthalen-1-ylcarbamoylamino)butanedioic acid
CID 40606625
2-(naphthalen-1-ylcarbamoylamino)-2-phenylacetic acid
CID 13306003

Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-1-aminopropan-2-yl]-3-naphthalen-1-ylurea?
The IUPAC name of 1-[(2R)-1-aminopropan-2-yl]-3-naphthalen-1-ylurea (CID 104877165) is 1-[(2R)-1-aminopropan-2-yl]-3-naphthalen-1-ylurea.
What is the SMILES notation for 1-[(2R)-1-aminopropan-2-yl]-3-naphthalen-1-ylurea?
The canonical SMILES for 1-[(2R)-1-aminopropan-2-yl]-3-naphthalen-1-ylurea is C[C@H](CN)NC(=O)Nc1cccc2ccccc12.
What is the InChIKey of 1-[(2R)-1-aminopropan-2-yl]-3-naphthalen-1-ylurea?
The InChIKey is BOSZASLALSZTNH-SNVBAGLBSA-N. The full InChI is InChI=1S/C14H17N3O/c1-10(9-15)16-14(18)17-13-8-4-6-11-5-2-3-7-12(11)13/h2-8,10H,9,15H2,1H3,(H2,16,17,18)/t10-/m1/s1.
What are the key properties of 1-[(2R)-1-aminopropan-2-yl]-3-naphthalen-1-ylurea?
1-[(2R)-1-aminopropan-2-yl]-3-naphthalen-1-ylurea has a molecular weight of 243.31 g/mol, XLogP of 2.31, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-1-aminopropan-2-yl]-3-naphthalen-1-ylurea is sourced from PubChem (CID 104877165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).