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

C24H35N3O3 — CID 6722885

IUPACN-[(2S)-1-(cyclododecylamino)-3-hydroxy-1-oxopropan-2-yl]-1H-indole-2-carboxamide
SMILESO=C(N[C@@H](CO)C(=O)NC1CCCCCCCCCCC1)c1cc2ccccc2[nH]1
InChIInChI=1S/C24H35N3O3/c28-17-22(27-23(29)21-16-18-12-10-11-15-20(18)26-21)24(30)25-19-13-8-6-4-2-1-3-5-7-9-14-19/h10-12,15-16,19,22,26,28H,1-9,13-14,17H2,(H,25,30)(H,27,29)/t22-/m0/s1
InChIKeyNITYCRVLZVIJBK-QFIPXVFZSA-N
MW413.56 g/mol
LogP4.05
Rot. Bonds5

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

N-[(2S)-1-(cyclododecylamino)-3-hydroxy-1-oxopropan-2-yl]-1H-indole-2-carboxamide (PubChem CID 6722885) has the molecular formula C24H35N3O3 and a molecular weight of 413.56 g/mol. Its IUPAC name is N-[(2S)-1-(cyclododecylamino)-3-hydroxy-1-oxopropan-2-yl]-1H-indole-2-carboxamide.

Molecular Properties

Compound NameN-[(2S)-1-(cyclododecylamino)-3-hydroxy-1-oxopropan-2-yl]-1H-indole-2-carboxamide
PubChem CID6722885
Molecular FormulaC24H35N3O3
Molecular Weight413.56 g/mol
Exact Mass413.27
IUPAC NameN-[(2S)-1-(cyclododecylamino)-3-hydroxy-1-oxopropan-2-yl]-1H-indole-2-carboxamide
SMILESO=C(N[C@@H](CO)C(=O)NC1CCCCCCCCCCC1)c1cc2ccccc2[nH]1
InChIInChI=1S/C24H35N3O3/c28-17-22(27-23(29)21-16-18-12-10-11-15-20(18)26-21)24(30)25-19-13-8-6-4-2-1-3-5-7-9-14-19/h10-12,15-16,19,22,26,28H,1-9,13-14,17H2,(H,25,30)(H,27,29)/t22-/m0/s1
InChIKeyNITYCRVLZVIJBK-QFIPXVFZSA-N
XLogP4.05
TPSA94.22 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.56
LogP ≤ 54.05
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(cyclohexylmethylamino)-3-hydroxy-1-oxopropan-2-yl]-1H-indole-2-carboxamide
CID 3618702
2-acetamido-N-cyclohexyl-3-(1H-indol-2-yl)propanamide
CID 154541509
N-[3-hydroxy-1-oxo-1-(1,3-thiazol-2-ylamino)propan-2-yl]-1H-indole-2-carboxamide
CID 5171439
(2S)-N-cyclooctyl-3-hydroxy-2-[(2-naphthalen-1-ylacetyl)amino]propanamide
CID 6724215
N-(dicyclopropylmethyl)-1H-indole-2-carboxamide
CID 47143820
N-cyclopentyl-3-hydroxy-2-[(2-naphthalen-2-ylacetyl)amino]propanamide
CID 3602543
3-benzoyl-N-[(2S)-1-(cyclododecylamino)-3-hydroxy-1-oxopropan-2-yl]benzamide
CID 6723604
(2R)-4-hydroxy-2-(1H-indole-2-carbonylamino)butanoic acid
CID 107823080
(2S)-N-cyclohexyl-2-[1-(1H-indole-2-carbonyl)piperidin-4-yl]propanamide
CID 92503661
N-[(2S)-1-(cyclooctylamino)-3-hydroxy-1-oxopropan-2-yl]-9,10-dioxoanthracene-2-carboxamide
CID 6723334
N-[1-(cyclododecylamino)-3-hydroxy-1-oxopropan-2-yl]quinoxaline-2-carboxamide
CID 4051543
N-[3-hydroxy-1-oxo-1-[[4-(trifluoromethyl)phenyl]methylamino]propan-2-yl]-1H-indole-2-carboxamide
CID 3618443

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-(cyclododecylamino)-3-hydroxy-1-oxopropan-2-yl]-1H-indole-2-carboxamide?
The IUPAC name of N-[(2S)-1-(cyclododecylamino)-3-hydroxy-1-oxopropan-2-yl]-1H-indole-2-carboxamide (CID 6722885) is N-[(2S)-1-(cyclododecylamino)-3-hydroxy-1-oxopropan-2-yl]-1H-indole-2-carboxamide.
What is the SMILES notation for N-[(2S)-1-(cyclododecylamino)-3-hydroxy-1-oxopropan-2-yl]-1H-indole-2-carboxamide?
The canonical SMILES for N-[(2S)-1-(cyclododecylamino)-3-hydroxy-1-oxopropan-2-yl]-1H-indole-2-carboxamide is O=C(N[C@@H](CO)C(=O)NC1CCCCCCCCCCC1)c1cc2ccccc2[nH]1.
What is the InChIKey of N-[(2S)-1-(cyclododecylamino)-3-hydroxy-1-oxopropan-2-yl]-1H-indole-2-carboxamide?
The InChIKey is NITYCRVLZVIJBK-QFIPXVFZSA-N. The full InChI is InChI=1S/C24H35N3O3/c28-17-22(27-23(29)21-16-18-12-10-11-15-20(18)26-21)24(30)25-19-13-8-6-4-2-1-3-5-7-9-14-19/h10-12,15-16,19,22,26,28H,1-9,13-14,17H2,(H,25,30)(H,27,29)/t22-/m0/s1.
What are the key properties of N-[(2S)-1-(cyclododecylamino)-3-hydroxy-1-oxopropan-2-yl]-1H-indole-2-carboxamide?
N-[(2S)-1-(cyclododecylamino)-3-hydroxy-1-oxopropan-2-yl]-1H-indole-2-carboxamide has a molecular weight of 413.56 g/mol, XLogP of 4.05, 5 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-(cyclododecylamino)-3-hydroxy-1-oxopropan-2-yl]-1H-indole-2-carboxamide is sourced from PubChem (CID 6722885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).