N-[1-(ethylamino)-1-oxopropan-2-yl]-2,3-dihydro-1H-indole-2-carboxamide

C14H19N3O2 — CID 76893181

IUPACN-[1-(ethylamino)-1-oxopropan-2-yl]-2,3-dihydro-1H-indole-2-carboxamide
SMILESCCNC(=O)C(C)NC(=O)C1Cc2ccccc2N1
InChIInChI=1S/C14H19N3O2/c1-3-15-13(18)9(2)16-14(19)12-8-10-6-4-5-7-11(10)17-12/h4-7,9,12,17H,3,8H2,1-2H3,(H,15,18)(H,16,19)
InChIKeyDNKHEVUJKWXNMX-UHFFFAOYSA-N
MW261.32 g/mol
LogP0.66
Rot. Bonds4

About N-[1-(ethylamino)-1-oxopropan-2-yl]-2,3-dihydro-1H-indole-2-carboxamide

N-[1-(ethylamino)-1-oxopropan-2-yl]-2,3-dihydro-1H-indole-2-carboxamide (PubChem CID 76893181) has the molecular formula C14H19N3O2 and a molecular weight of 261.32 g/mol. Its IUPAC name is N-[1-(ethylamino)-1-oxopropan-2-yl]-2,3-dihydro-1H-indole-2-carboxamide.

Molecular Properties

Compound NameN-[1-(ethylamino)-1-oxopropan-2-yl]-2,3-dihydro-1H-indole-2-carboxamide
PubChem CID76893181
Molecular FormulaC14H19N3O2
Molecular Weight261.32 g/mol
Exact Mass261.15
IUPAC NameN-[1-(ethylamino)-1-oxopropan-2-yl]-2,3-dihydro-1H-indole-2-carboxamide
SMILESCCNC(=O)C(C)NC(=O)C1Cc2ccccc2N1
InChIInChI=1S/C14H19N3O2/c1-3-15-13(18)9(2)16-14(19)12-8-10-6-4-5-7-11(10)17-12/h4-7,9,12,17H,3,8H2,1-2H3,(H,15,18)(H,16,19)
InChIKeyDNKHEVUJKWXNMX-UHFFFAOYSA-N
XLogP0.66
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 50.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-[[(2S)-2,3-dihydro-1H-indole-2-carbonyl]amino]propanoic acid
CID 54991181
(2S)-N-(3-ethylpentan-2-yl)-2,3-dihydro-1H-indole-2-carboxamide
CID 63843181
(2S)-N-octan-4-yl-2,3-dihydro-1H-indole-2-carboxamide
CID 106025761
(2S)-N-but-3-en-2-yl-2,3-dihydro-1H-indole-2-carboxamide
CID 104864663
(2S)-N-[(1S)-1-cyclopentylethyl]-2,3-dihydro-1H-indole-2-carboxamide
CID 81390006
(2S)-N-(2,3-dimethylbutyl)-2,3-dihydro-1H-indole-2-carboxamide
CID 64599096
N-(4-methoxybutan-2-yl)-2,3-dihydro-1H-indole-2-carboxamide
CID 77048593
(2S)-N-pent-4-en-2-yl-2,3-dihydro-1H-indole-2-carboxamide
CID 113466545
(2S)-N-(1-hydroxy-4-methylpentan-3-yl)-2,3-dihydro-1H-indole-2-carboxamide
CID 106349732
(2S)-N-pent-4-yn-2-yl-2,3-dihydro-1H-indole-2-carboxamide
CID 104864201
N-hex-5-yn-3-yl-2,3-dihydro-1H-indole-2-carboxamide
CID 113477452
3-[(2,3-dihydro-1H-indole-2-carbonylamino)methyl]pentanoic acid
CID 81072634

Frequently Asked Questions

What is the IUPAC name of N-[1-(ethylamino)-1-oxopropan-2-yl]-2,3-dihydro-1H-indole-2-carboxamide?
The IUPAC name of N-[1-(ethylamino)-1-oxopropan-2-yl]-2,3-dihydro-1H-indole-2-carboxamide (CID 76893181) is N-[1-(ethylamino)-1-oxopropan-2-yl]-2,3-dihydro-1H-indole-2-carboxamide.
What is the SMILES notation for N-[1-(ethylamino)-1-oxopropan-2-yl]-2,3-dihydro-1H-indole-2-carboxamide?
The canonical SMILES for N-[1-(ethylamino)-1-oxopropan-2-yl]-2,3-dihydro-1H-indole-2-carboxamide is CCNC(=O)C(C)NC(=O)C1Cc2ccccc2N1.
What is the InChIKey of N-[1-(ethylamino)-1-oxopropan-2-yl]-2,3-dihydro-1H-indole-2-carboxamide?
The InChIKey is DNKHEVUJKWXNMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2/c1-3-15-13(18)9(2)16-14(19)12-8-10-6-4-5-7-11(10)17-12/h4-7,9,12,17H,3,8H2,1-2H3,(H,15,18)(H,16,19).
What are the key properties of N-[1-(ethylamino)-1-oxopropan-2-yl]-2,3-dihydro-1H-indole-2-carboxamide?
N-[1-(ethylamino)-1-oxopropan-2-yl]-2,3-dihydro-1H-indole-2-carboxamide has a molecular weight of 261.32 g/mol, XLogP of 0.66, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(ethylamino)-1-oxopropan-2-yl]-2,3-dihydro-1H-indole-2-carboxamide is sourced from PubChem (CID 76893181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).