1-[(3-hydroxycyclohexyl)methyl]-3-[2-(2-methyl-2,3-dihydroindol-1-yl)ethyl]urea

C19H29N3O2 — CID 111505408

IUPAC1-[(3-hydroxycyclohexyl)methyl]-3-[2-(2-methyl-2,3-dihydroindol-1-yl)ethyl]urea
SMILESCC1Cc2ccccc2N1CCNC(=O)NCC1CCCC(O)C1
InChIInChI=1S/C19H29N3O2/c1-14-11-16-6-2-3-8-18(16)22(14)10-9-20-19(24)21-13-15-5-4-7-17(23)12-15/h2-3,6,8,14-15,17,23H,4-5,7,9-13H2,1H3,(H2,20,21,24)
InChIKeyNRUOXDHAKNCWCC-UHFFFAOYSA-N
MW331.46 g/mol
LogP2.29
Rot. Bonds5

About 1-[(3-hydroxycyclohexyl)methyl]-3-[2-(2-methyl-2,3-dihydroindol-1-yl)ethyl]urea

1-[(3-hydroxycyclohexyl)methyl]-3-[2-(2-methyl-2,3-dihydroindol-1-yl)ethyl]urea (PubChem CID 111505408) has the molecular formula C19H29N3O2 and a molecular weight of 331.46 g/mol. Its IUPAC name is 1-[(3-hydroxycyclohexyl)methyl]-3-[2-(2-methyl-2,3-dihydroindol-1-yl)ethyl]urea.

Molecular Properties

Compound Name1-[(3-hydroxycyclohexyl)methyl]-3-[2-(2-methyl-2,3-dihydroindol-1-yl)ethyl]urea
PubChem CID111505408
Molecular FormulaC19H29N3O2
Molecular Weight331.46 g/mol
Exact Mass331.23
IUPAC Name1-[(3-hydroxycyclohexyl)methyl]-3-[2-(2-methyl-2,3-dihydroindol-1-yl)ethyl]urea
SMILESCC1Cc2ccccc2N1CCNC(=O)NCC1CCCC(O)C1
InChIInChI=1S/C19H29N3O2/c1-14-11-16-6-2-3-8-18(16)22(14)10-9-20-19(24)21-13-15-5-4-7-17(23)12-15/h2-3,6,8,14-15,17,23H,4-5,7,9-13H2,1H3,(H2,20,21,24)
InChIKeyNRUOXDHAKNCWCC-UHFFFAOYSA-N
XLogP2.29
TPSA64.60 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.46
LogP ≤ 52.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-hydroxybutyl)-3-[2-(2-methyl-2,3-dihydroindol-1-yl)ethyl]urea
CID 111337321
1-(1,4-dioxan-2-ylmethyl)-3-[2-(2-methyl-2,3-dihydroindol-1-yl)ethyl]urea
CID 71936152
N-(cyclopropylmethyl)-2-(2-methyl-2,3-dihydroindol-1-yl)ethanamine
CID 60866414
trans-(1R,3R)-3-amino-N-[2-[(2R)-2-methyl-2,3-dihydroindol-1-yl]ethyl]cyclopentane-1-carboxamide
CID 124688900
cis-(1R,3S)-3-amino-N-[2-[(2R)-2-methyl-2,3-dihydroindol-1-yl]ethyl]cyclopentane-1-carboxamide
CID 125120867
N-[2-(2-methyl-2,3-dihydroindol-1-yl)ethyl]pyrrolidine-1-carboxamide
CID 155947049
4-hydroxy-N-[2-(2-methyl-2,3-dihydroindol-1-yl)ethyl]pyrrolidine-2-carboxamide
CID 119868403
1-[[(1S,3S)-3-hydroxycyclohexyl]methyl]-3-[(2-methyl-1,3-dihydroinden-2-yl)methyl]urea
CID 97147839
1-[(4-methoxyphenyl)methyl]-3-[2-(2-methyl-2,3-dihydroindol-1-yl)ethyl]urea
CID 78885927
2-amino-2-methyl-N-[2-(2-methyl-2,3-dihydroindol-1-yl)ethyl]propanamide;dihydrochloride
CID 119868382
N-[2-(2-methyl-2,3-dihydroindol-1-yl)ethyl]piperidine-3-carboxamide
CID 119868371
2-tert-butylsulfanyl-N-[2-(2-methyl-2,3-dihydroindol-1-yl)ethyl]acetamide
CID 60599554

Frequently Asked Questions

What is the IUPAC name of 1-[(3-hydroxycyclohexyl)methyl]-3-[2-(2-methyl-2,3-dihydroindol-1-yl)ethyl]urea?
The IUPAC name of 1-[(3-hydroxycyclohexyl)methyl]-3-[2-(2-methyl-2,3-dihydroindol-1-yl)ethyl]urea (CID 111505408) is 1-[(3-hydroxycyclohexyl)methyl]-3-[2-(2-methyl-2,3-dihydroindol-1-yl)ethyl]urea.
What is the SMILES notation for 1-[(3-hydroxycyclohexyl)methyl]-3-[2-(2-methyl-2,3-dihydroindol-1-yl)ethyl]urea?
The canonical SMILES for 1-[(3-hydroxycyclohexyl)methyl]-3-[2-(2-methyl-2,3-dihydroindol-1-yl)ethyl]urea is CC1Cc2ccccc2N1CCNC(=O)NCC1CCCC(O)C1.
What is the InChIKey of 1-[(3-hydroxycyclohexyl)methyl]-3-[2-(2-methyl-2,3-dihydroindol-1-yl)ethyl]urea?
The InChIKey is NRUOXDHAKNCWCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O2/c1-14-11-16-6-2-3-8-18(16)22(14)10-9-20-19(24)21-13-15-5-4-7-17(23)12-15/h2-3,6,8,14-15,17,23H,4-5,7,9-13H2,1H3,(H2,20,21,24).
What are the key properties of 1-[(3-hydroxycyclohexyl)methyl]-3-[2-(2-methyl-2,3-dihydroindol-1-yl)ethyl]urea?
1-[(3-hydroxycyclohexyl)methyl]-3-[2-(2-methyl-2,3-dihydroindol-1-yl)ethyl]urea has a molecular weight of 331.46 g/mol, XLogP of 2.29, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-hydroxycyclohexyl)methyl]-3-[2-(2-methyl-2,3-dihydroindol-1-yl)ethyl]urea is sourced from PubChem (CID 111505408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).