(2S)-N,N-bis(2-hydroxyethyl)-2,3-dihydro-1H-indole-2-carboxamide

C13H18N2O3 — CID 61163081

IUPAC(2S)-N,N-bis(2-hydroxyethyl)-2,3-dihydro-1H-indole-2-carboxamide
SMILESO=C([C@@H]1Cc2ccccc2N1)N(CCO)CCO
InChIInChI=1S/C13H18N2O3/c16-7-5-15(6-8-17)13(18)12-9-10-3-1-2-4-11(10)14-12/h1-4,12,14,16-17H,5-9H2/t12-/m0/s1
InChIKeyUIGDWWBYWOBBJD-LBPRGKRZSA-N
MW250.30 g/mol
LogP-0.16
Rot. Bonds5

About (2S)-N,N-bis(2-hydroxyethyl)-2,3-dihydro-1H-indole-2-carboxamide

(2S)-N,N-bis(2-hydroxyethyl)-2,3-dihydro-1H-indole-2-carboxamide (PubChem CID 61163081) has the molecular formula C13H18N2O3 and a molecular weight of 250.30 g/mol. Its IUPAC name is (2S)-N,N-bis(2-hydroxyethyl)-2,3-dihydro-1H-indole-2-carboxamide.

Molecular Properties

Compound Name(2S)-N,N-bis(2-hydroxyethyl)-2,3-dihydro-1H-indole-2-carboxamide
PubChem CID61163081
Molecular FormulaC13H18N2O3
Molecular Weight250.30 g/mol
Exact Mass250.13
IUPAC Name(2S)-N,N-bis(2-hydroxyethyl)-2,3-dihydro-1H-indole-2-carboxamide
SMILESO=C([C@@H]1Cc2ccccc2N1)N(CCO)CCO
InChIInChI=1S/C13H18N2O3/c16-7-5-15(6-8-17)13(18)12-9-10-3-1-2-4-11(10)14-12/h1-4,12,14,16-17H,5-9H2/t12-/m0/s1
InChIKeyUIGDWWBYWOBBJD-LBPRGKRZSA-N
XLogP-0.16
TPSA72.80 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 5-0.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-N-ethyl-N-(2-hydroxyethyl)-2,3-dihydro-1H-indole-2-carboxamide
CID 61165256
N-(2-hydroxyethyl)-N-propan-2-yl-2,3-dihydro-1H-indole-2-carboxamide
CID 76893844
N-butyl-N-ethyl-2,3-dihydro-1H-indole-2-carboxamide
CID 76892094
N,N-dimethyl-2,3-dihydro-1H-indole-2-carboxamide
CID 18184482
N-[2-(methylamino)-2-oxoethyl]-N-propyl-2,3-dihydro-1H-indole-2-carboxamide
CID 76893982
N-[2-(dimethylamino)ethyl]-N-(2-methylpropyl)-2,3-dihydro-1H-indole-2-carboxamide
CID 76894730
N-[2-(dimethylamino)-2-oxoethyl]-N-propyl-2,3-dihydro-1H-indole-2-carboxamide
CID 76894026
N-ethyl-N-(2-methylbutyl)-2,3-dihydro-1H-indole-2-carboxamide
CID 80567400
2-[cyclopropylmethyl-[(2S)-2,3-dihydro-1H-indole-2-carbonyl]amino]acetic acid
CID 61162015
N-ethyl-N-(2-methylprop-2-enyl)-2,3-dihydro-1H-indole-2-carboxamide
CID 76892548
2-[cyclopropylmethyl(2,3-dihydro-1H-indole-2-carbonyl)amino]acetic acid
CID 76894232
N-ethyl-N-methyl-2,3-dihydro-1H-indole-2-carboxamide
CID 76893209

Frequently Asked Questions

What is the IUPAC name of (2S)-N,N-bis(2-hydroxyethyl)-2,3-dihydro-1H-indole-2-carboxamide?
The IUPAC name of (2S)-N,N-bis(2-hydroxyethyl)-2,3-dihydro-1H-indole-2-carboxamide (CID 61163081) is (2S)-N,N-bis(2-hydroxyethyl)-2,3-dihydro-1H-indole-2-carboxamide.
What is the SMILES notation for (2S)-N,N-bis(2-hydroxyethyl)-2,3-dihydro-1H-indole-2-carboxamide?
The canonical SMILES for (2S)-N,N-bis(2-hydroxyethyl)-2,3-dihydro-1H-indole-2-carboxamide is O=C([C@@H]1Cc2ccccc2N1)N(CCO)CCO.
What is the InChIKey of (2S)-N,N-bis(2-hydroxyethyl)-2,3-dihydro-1H-indole-2-carboxamide?
The InChIKey is UIGDWWBYWOBBJD-LBPRGKRZSA-N. The full InChI is InChI=1S/C13H18N2O3/c16-7-5-15(6-8-17)13(18)12-9-10-3-1-2-4-11(10)14-12/h1-4,12,14,16-17H,5-9H2/t12-/m0/s1.
What are the key properties of (2S)-N,N-bis(2-hydroxyethyl)-2,3-dihydro-1H-indole-2-carboxamide?
(2S)-N,N-bis(2-hydroxyethyl)-2,3-dihydro-1H-indole-2-carboxamide has a molecular weight of 250.30 g/mol, XLogP of -0.16, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N,N-bis(2-hydroxyethyl)-2,3-dihydro-1H-indole-2-carboxamide is sourced from PubChem (CID 61163081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).