[(1R)-1-(cyclohexylamino)-1-hydroxy-3-(1H-indol-3-yl)propan-2-yl] carbamate

C18H25N3O3 — CID 175552962

IUPAC[(1R)-1-(cyclohexylamino)-1-hydroxy-3-(1H-indol-3-yl)propan-2-yl] carbamate
SMILESNC(=O)OC(Cc1c[nH]c2ccccc12)[C@@H](O)NC1CCCCC1
InChIInChI=1S/C18H25N3O3/c19-18(23)24-16(17(22)21-13-6-2-1-3-7-13)10-12-11-20-15-9-5-4-8-14(12)15/h4-5,8-9,11,13,16-17,20-22H,1-3,6-7,10H2,(H2,19,23)/t16?,17-/m1/s1
InChIKeyJCXVCUSRRDOMSR-ZYMOGRSISA-N
MW331.42 g/mol
LogP2.41
Rot. Bonds6

About [(1R)-1-(cyclohexylamino)-1-hydroxy-3-(1H-indol-3-yl)propan-2-yl] carbamate

[(1R)-1-(cyclohexylamino)-1-hydroxy-3-(1H-indol-3-yl)propan-2-yl] carbamate (PubChem CID 175552962) has the molecular formula C18H25N3O3 and a molecular weight of 331.42 g/mol. Its IUPAC name is [(1R)-1-(cyclohexylamino)-1-hydroxy-3-(1H-indol-3-yl)propan-2-yl] carbamate.

Molecular Properties

Compound Name[(1R)-1-(cyclohexylamino)-1-hydroxy-3-(1H-indol-3-yl)propan-2-yl] carbamate
PubChem CID175552962
Molecular FormulaC18H25N3O3
Molecular Weight331.42 g/mol
Exact Mass331.19
IUPAC Name[(1R)-1-(cyclohexylamino)-1-hydroxy-3-(1H-indol-3-yl)propan-2-yl] carbamate
SMILESNC(=O)OC(Cc1c[nH]c2ccccc12)[C@@H](O)NC1CCCCC1
InChIInChI=1S/C18H25N3O3/c19-18(23)24-16(17(22)21-13-6-2-1-3-7-13)10-12-11-20-15-9-5-4-8-14(12)15/h4-5,8-9,11,13,16-17,20-22H,1-3,6-7,10H2,(H2,19,23)/t16?,17-/m1/s1
InChIKeyJCXVCUSRRDOMSR-ZYMOGRSISA-N
XLogP2.41
TPSA100.37 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.42
LogP ≤ 52.41
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

[1-(cyclohexylamino)-3-(1H-indol-3-yl)-1-oxopropan-2-yl] carbamate
CID 175275526
(2S)-2-(cyclopentylamino)-3-(1H-indol-3-yl)propanamide
CID 91153843
[1-hydrazinyl-3-(1H-indol-3-yl)-1-oxopropan-2-yl] carbamate
CID 68925236
2-(cyclopropylamino)-3-(1H-indol-3-yl)propanoic acid
CID 68626670
[(Z)-[1-amino-2-(1H-indol-3-yl)ethylidene]amino] N-cyclohexylcarbamate
CID 134107242
N-[(2R)-1-(1H-indol-3-yl)propan-2-yl]cyclopropanamine
CID 95732551
N-cyclopentyloxy-2-(1H-indol-3-yl)acetamide
CID 83202752
[(2R)-1-(cyclopentylamino)-1-oxopropan-2-yl] 2-(1H-indol-3-yl)acetate
CID 7259091
phenyl N-[1-(cyclohexylamino)-3-(1H-indol-3-yl)-1-oxopropan-2-yl]carbamate
CID 3136694
benzyl N-[(2S)-1-(cyclopentylamino)-3-(1H-indol-3-yl)-1-oxopropan-2-yl]carbamate
CID 9209002
methyl (2R)-2-[[2-(cyclohexanecarbonylamino)acetyl]amino]-3-(1H-indol-3-yl)propanoate
CID 18105767
N-cyclohexyl-2-[(2,2-diphenylacetyl)amino]-3-(1H-indol-3-yl)propanamide
CID 3110641

Frequently Asked Questions

What is the IUPAC name of [(1R)-1-(cyclohexylamino)-1-hydroxy-3-(1H-indol-3-yl)propan-2-yl] carbamate?
The IUPAC name of [(1R)-1-(cyclohexylamino)-1-hydroxy-3-(1H-indol-3-yl)propan-2-yl] carbamate (CID 175552962) is [(1R)-1-(cyclohexylamino)-1-hydroxy-3-(1H-indol-3-yl)propan-2-yl] carbamate.
What is the SMILES notation for [(1R)-1-(cyclohexylamino)-1-hydroxy-3-(1H-indol-3-yl)propan-2-yl] carbamate?
The canonical SMILES for [(1R)-1-(cyclohexylamino)-1-hydroxy-3-(1H-indol-3-yl)propan-2-yl] carbamate is NC(=O)OC(Cc1c[nH]c2ccccc12)[C@@H](O)NC1CCCCC1.
What is the InChIKey of [(1R)-1-(cyclohexylamino)-1-hydroxy-3-(1H-indol-3-yl)propan-2-yl] carbamate?
The InChIKey is JCXVCUSRRDOMSR-ZYMOGRSISA-N. The full InChI is InChI=1S/C18H25N3O3/c19-18(23)24-16(17(22)21-13-6-2-1-3-7-13)10-12-11-20-15-9-5-4-8-14(12)15/h4-5,8-9,11,13,16-17,20-22H,1-3,6-7,10H2,(H2,19,23)/t16?,17-/m1/s1.
What are the key properties of [(1R)-1-(cyclohexylamino)-1-hydroxy-3-(1H-indol-3-yl)propan-2-yl] carbamate?
[(1R)-1-(cyclohexylamino)-1-hydroxy-3-(1H-indol-3-yl)propan-2-yl] carbamate has a molecular weight of 331.42 g/mol, XLogP of 2.41, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R)-1-(cyclohexylamino)-1-hydroxy-3-(1H-indol-3-yl)propan-2-yl] carbamate is sourced from PubChem (CID 175552962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).