1-(cyclopropylmethyl)-3-[1-(1-methylindol-6-yl)ethyl]urea

C16H21N3O — CID 155958370

IUPAC1-(cyclopropylmethyl)-3-[1-(1-methylindol-6-yl)ethyl]urea
SMILESCC(NC(=O)NCC1CC1)c1ccc2ccn(C)c2c1
InChIInChI=1S/C16H21N3O/c1-11(18-16(20)17-10-12-3-4-12)14-6-5-13-7-8-19(2)15(13)9-14/h5-9,11-12H,3-4,10H2,1-2H3,(H2,17,18,20)
InChIKeyCPNKFUPANICWMG-UHFFFAOYSA-N
MW271.36 g/mol
LogP2.95
Rot. Bonds4

About 1-(cyclopropylmethyl)-3-[1-(1-methylindol-6-yl)ethyl]urea

1-(cyclopropylmethyl)-3-[1-(1-methylindol-6-yl)ethyl]urea (PubChem CID 155958370) has the molecular formula C16H21N3O and a molecular weight of 271.36 g/mol. Its IUPAC name is 1-(cyclopropylmethyl)-3-[1-(1-methylindol-6-yl)ethyl]urea.

Molecular Properties

Compound Name1-(cyclopropylmethyl)-3-[1-(1-methylindol-6-yl)ethyl]urea
PubChem CID155958370
Molecular FormulaC16H21N3O
Molecular Weight271.36 g/mol
Exact Mass271.17
IUPAC Name1-(cyclopropylmethyl)-3-[1-(1-methylindol-6-yl)ethyl]urea
SMILESCC(NC(=O)NCC1CC1)c1ccc2ccn(C)c2c1
InChIInChI=1S/C16H21N3O/c1-11(18-16(20)17-10-12-3-4-12)14-6-5-13-7-8-19(2)15(13)9-14/h5-9,11-12H,3-4,10H2,1-2H3,(H2,17,18,20)
InChIKeyCPNKFUPANICWMG-UHFFFAOYSA-N
XLogP2.95
TPSA46.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(1R)-1-(6-methoxynaphthalen-2-yl)ethyl]-3-(piperidin-4-ylmethyl)urea
CID 126441251
1-(cyclohexylmethyl)-3-[1-(4-ethylphenyl)ethyl]urea
CID 108902838
3-imidazol-1-yl-2-methyl-N-[1-(1-methylindol-6-yl)ethyl]propanamide
CID 166301013
methyl 2-hydroxy-2-(1-methylindol-6-yl)acetate
CID 117312084
2-(cyclopropylmethylamino)-N-(1-naphthalen-2-ylethyl)acetamide;hydrochloride
CID 119685956
1-(cyclobutylmethyl)-3-[1-(3-fluoro-4-methylsulfonylphenyl)ethyl]urea
CID 71990646
1-(1-phenylethyl)-3-(piperidin-4-ylmethyl)urea;hydrochloride
CID 171393262
1-[(1S)-1-(3,4-dimethoxyphenyl)ethyl]-3-[[(2S,4S)-2-methyloxan-4-yl]methyl]urea
CID 129471370
1-[(4-ethylcyclohexyl)methyl]-3-[1-(furan-2-yl)ethyl]urea
CID 86849465
trans-(1R,2R)-2-(1-methylindol-6-yl)-N-[1-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]ethyl]cyclopropane-1-carboxamide
CID 146275052
1-(cyclohex-3-en-1-ylmethyl)-3-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]urea
CID 60591630
1-[(2-methyl-3,4-dihydro-1H-isoquinolin-3-yl)methyl]-3-[1-(6-methylnaphthalen-2-yl)ethyl]urea
CID 135214297

Frequently Asked Questions

What is the IUPAC name of 1-(cyclopropylmethyl)-3-[1-(1-methylindol-6-yl)ethyl]urea?
The IUPAC name of 1-(cyclopropylmethyl)-3-[1-(1-methylindol-6-yl)ethyl]urea (CID 155958370) is 1-(cyclopropylmethyl)-3-[1-(1-methylindol-6-yl)ethyl]urea.
What is the SMILES notation for 1-(cyclopropylmethyl)-3-[1-(1-methylindol-6-yl)ethyl]urea?
The canonical SMILES for 1-(cyclopropylmethyl)-3-[1-(1-methylindol-6-yl)ethyl]urea is CC(NC(=O)NCC1CC1)c1ccc2ccn(C)c2c1.
What is the InChIKey of 1-(cyclopropylmethyl)-3-[1-(1-methylindol-6-yl)ethyl]urea?
The InChIKey is CPNKFUPANICWMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O/c1-11(18-16(20)17-10-12-3-4-12)14-6-5-13-7-8-19(2)15(13)9-14/h5-9,11-12H,3-4,10H2,1-2H3,(H2,17,18,20).
What are the key properties of 1-(cyclopropylmethyl)-3-[1-(1-methylindol-6-yl)ethyl]urea?
1-(cyclopropylmethyl)-3-[1-(1-methylindol-6-yl)ethyl]urea has a molecular weight of 271.36 g/mol, XLogP of 2.95, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopropylmethyl)-3-[1-(1-methylindol-6-yl)ethyl]urea is sourced from PubChem (CID 155958370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).