1-naphthalen-1-yl-3-[2-(propan-2-ylamino)ethyl]urea

C16H21N3O — CID 62664928

IUPAC1-naphthalen-1-yl-3-[2-(propan-2-ylamino)ethyl]urea
SMILESCC(C)NCCNC(=O)Nc1cccc2ccccc12
InChIInChI=1S/C16H21N3O/c1-12(2)17-10-11-18-16(20)19-15-9-5-7-13-6-3-4-8-14(13)15/h3-9,12,17H,10-11H2,1-2H3,(H2,18,19,20)
InChIKeyIEQXALWACNSKIQ-UHFFFAOYSA-N
MW271.36 g/mol
LogP2.96
Rot. Bonds5

About 1-naphthalen-1-yl-3-[2-(propan-2-ylamino)ethyl]urea

1-naphthalen-1-yl-3-[2-(propan-2-ylamino)ethyl]urea (PubChem CID 62664928) has the molecular formula C16H21N3O and a molecular weight of 271.36 g/mol. Its IUPAC name is 1-naphthalen-1-yl-3-[2-(propan-2-ylamino)ethyl]urea.

Molecular Properties

Compound Name1-naphthalen-1-yl-3-[2-(propan-2-ylamino)ethyl]urea
PubChem CID62664928
Molecular FormulaC16H21N3O
Molecular Weight271.36 g/mol
Exact Mass271.17
IUPAC Name1-naphthalen-1-yl-3-[2-(propan-2-ylamino)ethyl]urea
SMILESCC(C)NCCNC(=O)Nc1cccc2ccccc12
InChIInChI=1S/C16H21N3O/c1-12(2)17-10-11-18-16(20)19-15-9-5-7-13-6-3-4-8-14(13)15/h3-9,12,17H,10-11H2,1-2H3,(H2,18,19,20)
InChIKeyIEQXALWACNSKIQ-UHFFFAOYSA-N
XLogP2.96
TPSA53.16 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 52.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-naphthalen-1-yl-3-(3-oxobutyl)urea
CID 108895153
1-(2-hydroxypropyl)-3-naphthalen-1-ylurea
CID 17468556
2-(propan-2-ylamino)ethyl N-naphthalen-1-ylcarbamate
CID 79337527
1-(3-amino-3-sulfanylidenepropyl)-3-naphthalen-1-ylurea
CID 62667648
1-[2-[(R)-methylsulfinyl]ethyl]-3-naphthalen-1-ylurea
CID 51686352
N-naphthalen-1-yl-N'-propan-2-ylethane-1,2-diamine
CID 115206310
2-hydroxy-4-(naphthalen-1-ylcarbamoylamino)butanoic acid
CID 107835055
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-[3-(dimethylamino)propyl]-3-naphthalen-1-ylurea;hydrochloride
CID 134126097
1-[2-(aziridin-1-yl)ethyl]-3-naphthalen-1-ylurea
CID 598105
1-naphthalen-1-yl-3-(naphthalen-1-ylmethyl)urea
CID 27185701

Frequently Asked Questions

What is the IUPAC name of 1-naphthalen-1-yl-3-[2-(propan-2-ylamino)ethyl]urea?
The IUPAC name of 1-naphthalen-1-yl-3-[2-(propan-2-ylamino)ethyl]urea (CID 62664928) is 1-naphthalen-1-yl-3-[2-(propan-2-ylamino)ethyl]urea.
What is the SMILES notation for 1-naphthalen-1-yl-3-[2-(propan-2-ylamino)ethyl]urea?
The canonical SMILES for 1-naphthalen-1-yl-3-[2-(propan-2-ylamino)ethyl]urea is CC(C)NCCNC(=O)Nc1cccc2ccccc12.
What is the InChIKey of 1-naphthalen-1-yl-3-[2-(propan-2-ylamino)ethyl]urea?
The InChIKey is IEQXALWACNSKIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O/c1-12(2)17-10-11-18-16(20)19-15-9-5-7-13-6-3-4-8-14(13)15/h3-9,12,17H,10-11H2,1-2H3,(H2,18,19,20).
What are the key properties of 1-naphthalen-1-yl-3-[2-(propan-2-ylamino)ethyl]urea?
1-naphthalen-1-yl-3-[2-(propan-2-ylamino)ethyl]urea has a molecular weight of 271.36 g/mol, XLogP of 2.96, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-naphthalen-1-yl-3-[2-(propan-2-ylamino)ethyl]urea is sourced from PubChem (CID 62664928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).