N-[1-(cyclohexylmethylamino)-3-hydroxy-1-oxopropan-2-yl]-1H-indole-2-carboxamide

C19H25N3O3 — CID 3618702

IUPACN-[1-(cyclohexylmethylamino)-3-hydroxy-1-oxopropan-2-yl]-1H-indole-2-carboxamide
SMILESO=C(NC(CO)C(=O)NCC1CCCCC1)c1cc2ccccc2[nH]1
InChIInChI=1S/C19H25N3O3/c23-12-17(18(24)20-11-13-6-2-1-3-7-13)22-19(25)16-10-14-8-4-5-9-15(14)21-16/h4-5,8-10,13,17,21,23H,1-3,6-7,11-12H2,(H,20,24)(H,22,25)
InChIKeyDOILFBCFSPJWIQ-UHFFFAOYSA-N
MW343.43 g/mol
LogP1.96
Rot. Bonds6

About N-[1-(cyclohexylmethylamino)-3-hydroxy-1-oxopropan-2-yl]-1H-indole-2-carboxamide

N-[1-(cyclohexylmethylamino)-3-hydroxy-1-oxopropan-2-yl]-1H-indole-2-carboxamide (PubChem CID 3618702) has the molecular formula C19H25N3O3 and a molecular weight of 343.43 g/mol. Its IUPAC name is N-[1-(cyclohexylmethylamino)-3-hydroxy-1-oxopropan-2-yl]-1H-indole-2-carboxamide.

Molecular Properties

Compound NameN-[1-(cyclohexylmethylamino)-3-hydroxy-1-oxopropan-2-yl]-1H-indole-2-carboxamide
PubChem CID3618702
Molecular FormulaC19H25N3O3
Molecular Weight343.43 g/mol
Exact Mass343.19
IUPAC NameN-[1-(cyclohexylmethylamino)-3-hydroxy-1-oxopropan-2-yl]-1H-indole-2-carboxamide
SMILESO=C(NC(CO)C(=O)NCC1CCCCC1)c1cc2ccccc2[nH]1
InChIInChI=1S/C19H25N3O3/c23-12-17(18(24)20-11-13-6-2-1-3-7-13)22-19(25)16-10-14-8-4-5-9-15(14)21-16/h4-5,8-10,13,17,21,23H,1-3,6-7,11-12H2,(H,20,24)(H,22,25)
InChIKeyDOILFBCFSPJWIQ-UHFFFAOYSA-N
XLogP1.96
TPSA94.22 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 51.96
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2S)-1-(cyclododecylamino)-3-hydroxy-1-oxopropan-2-yl]-1H-indole-2-carboxamide
CID 6722885
N-[(2S)-1-(cyclohexylmethylamino)-3-hydroxy-1-oxopropan-2-yl]quinoline-3-carboxamide
CID 6724022
N-[3-hydroxy-1-oxo-1-[[4-(trifluoromethyl)phenyl]methylamino]propan-2-yl]-1H-indole-2-carboxamide
CID 3618443
N-[(2S)-1-(cyclohexylmethylamino)-3-hydroxy-1-oxopropan-2-yl]-3H-benzimidazole-5-carboxamide
CID 6723252
N-(dicyclopropylmethyl)-1H-indole-2-carboxamide
CID 47143820
(2R)-4-hydroxy-2-(1H-indole-2-carbonylamino)butanoic acid
CID 107823080
N-[3-hydroxy-1-oxo-1-(1,3-thiazol-2-ylamino)propan-2-yl]-1H-indole-2-carboxamide
CID 5171439
N-[1-[[4-(cyclopropylmethylamino)-3-hydroxy-4-oxo-1-(2-oxoimidazolidin-1-yl)butan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]-1H-indole-2-carboxamide
CID 170307367
2-[3-cyclohexylpropyl-[(2S)-2-(1H-indole-2-carbonylamino)hexanoyl]amino]acetic acid
CID 57263044
N-[2-[[(2S)-3-cyclohexyl-1-oxo-1-[[(2S)-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl]amino]propan-2-yl]amino]-1-cyclopropyl-2-oxoethyl]-1H-indole-2-carboxamide
CID 170263586
N-[(1-pyrimidin-2-ylpiperidin-4-yl)methyl]-1H-indole-2-carboxamide
CID 131896123
N-(4-hydroxybutan-2-yl)-1H-indole-2-carboxamide
CID 81042932

Frequently Asked Questions

What is the IUPAC name of N-[1-(cyclohexylmethylamino)-3-hydroxy-1-oxopropan-2-yl]-1H-indole-2-carboxamide?
The IUPAC name of N-[1-(cyclohexylmethylamino)-3-hydroxy-1-oxopropan-2-yl]-1H-indole-2-carboxamide (CID 3618702) is N-[1-(cyclohexylmethylamino)-3-hydroxy-1-oxopropan-2-yl]-1H-indole-2-carboxamide.
What is the SMILES notation for N-[1-(cyclohexylmethylamino)-3-hydroxy-1-oxopropan-2-yl]-1H-indole-2-carboxamide?
The canonical SMILES for N-[1-(cyclohexylmethylamino)-3-hydroxy-1-oxopropan-2-yl]-1H-indole-2-carboxamide is O=C(NC(CO)C(=O)NCC1CCCCC1)c1cc2ccccc2[nH]1.
What is the InChIKey of N-[1-(cyclohexylmethylamino)-3-hydroxy-1-oxopropan-2-yl]-1H-indole-2-carboxamide?
The InChIKey is DOILFBCFSPJWIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O3/c23-12-17(18(24)20-11-13-6-2-1-3-7-13)22-19(25)16-10-14-8-4-5-9-15(14)21-16/h4-5,8-10,13,17,21,23H,1-3,6-7,11-12H2,(H,20,24)(H,22,25).
What are the key properties of N-[1-(cyclohexylmethylamino)-3-hydroxy-1-oxopropan-2-yl]-1H-indole-2-carboxamide?
N-[1-(cyclohexylmethylamino)-3-hydroxy-1-oxopropan-2-yl]-1H-indole-2-carboxamide has a molecular weight of 343.43 g/mol, XLogP of 1.96, 6 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(cyclohexylmethylamino)-3-hydroxy-1-oxopropan-2-yl]-1H-indole-2-carboxamide is sourced from PubChem (CID 3618702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).