N-[1-(1H-indol-6-ylamino)-1-oxo-3-phenylpropan-2-yl]morpholine-4-carboxamide

C22H24N4O3 — CID 75605295

IUPACN-[1-(1H-indol-6-ylamino)-1-oxo-3-phenylpropan-2-yl]morpholine-4-carboxamide
SMILESO=C(Nc1ccc2cc[nH]c2c1)C(Cc1ccccc1)NC(=O)N1CCOCC1
InChIInChI=1S/C22H24N4O3/c27-21(24-18-7-6-17-8-9-23-19(17)15-18)20(14-16-4-2-1-3-5-16)25-22(28)26-10-12-29-13-11-26/h1-9,15,20,23H,10-14H2,(H,24,27)(H,25,28)
InChIKeyOLMQCWDUDZBLIO-UHFFFAOYSA-N
MW392.46 g/mol
LogP2.76
Rot. Bonds5

About N-[1-(1H-indol-6-ylamino)-1-oxo-3-phenylpropan-2-yl]morpholine-4-carboxamide

N-[1-(1H-indol-6-ylamino)-1-oxo-3-phenylpropan-2-yl]morpholine-4-carboxamide (PubChem CID 75605295) has the molecular formula C22H24N4O3 and a molecular weight of 392.46 g/mol. Its IUPAC name is N-[1-(1H-indol-6-ylamino)-1-oxo-3-phenylpropan-2-yl]morpholine-4-carboxamide.

Molecular Properties

Compound NameN-[1-(1H-indol-6-ylamino)-1-oxo-3-phenylpropan-2-yl]morpholine-4-carboxamide
PubChem CID75605295
Molecular FormulaC22H24N4O3
Molecular Weight392.46 g/mol
Exact Mass392.18
IUPAC NameN-[1-(1H-indol-6-ylamino)-1-oxo-3-phenylpropan-2-yl]morpholine-4-carboxamide
SMILESO=C(Nc1ccc2cc[nH]c2c1)C(Cc1ccccc1)NC(=O)N1CCOCC1
InChIInChI=1S/C22H24N4O3/c27-21(24-18-7-6-17-8-9-23-19(17)15-18)20(14-16-4-2-1-3-5-16)25-22(28)26-10-12-29-13-11-26/h1-9,15,20,23H,10-14H2,(H,24,27)(H,25,28)
InChIKeyOLMQCWDUDZBLIO-UHFFFAOYSA-N
XLogP2.76
TPSA86.46 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.46
LogP ≤ 52.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(1H-indol-5-ylamino)-1-oxo-3-phenylpropan-2-yl]morpholine-4-carboxamide
CID 75605520
N-[1-[[4-(difluoromethyl)-2-oxochromen-7-yl]amino]-1-oxo-3-phenylpropan-2-yl]morpholine-4-carboxamide fluoride
CID 161251538
N-[1-(1,3-benzothiazol-2-ylamino)-1-oxo-3-phenylpropan-2-yl]morpholine-4-carboxamide
CID 75605443
methyl 2-(morpholine-4-carbonylamino)-3-phenylpropanoate
CID 3297862
N-[(2R)-1-oxo-3-phenyl-1-[(5-propan-2-yl-1,3,4-thiadiazol-2-yl)amino]propan-2-yl]morpholine-4-carboxamide
CID 124656040
(2S)-2-(morpholine-4-carbonylamino)-3-(4-phenylphenyl)propanoic acid
CID 21339337
N-[(2S)-1-[[(1S)-1-cyanobutyl]amino]-1-oxo-3-phenylpropan-2-yl]morpholine-4-carboxamide
CID 70077523
N-[(2S)-1-[[2-amino-1-(benzenesulfonyl)-4-phenylbutyl]amino]-1-oxo-3-phenylpropan-2-yl]morpholine-4-carboxamide
CID 70291185
N-[(2S)-1-[3-[1-(4-nitrophenyl)pent-1-enyl]anilino]-1-oxo-3-phenylpropan-2-yl]morpholine-4-carboxamide
CID 54145957
N-[(2S)-1-anilino-1,4-dioxo-4-piperazin-1-ylbutan-2-yl]morpholine-4-carboxamide;sulfane
CID 160582993
N-[(2S)-1-[[(2S)-4-methylsulfonyl-1-phenylbut-3-en-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]morpholine-4-carboxamide
CID 54508039
N-[1-[[(2S)-1-(chloromethylsulfonyl)-4-phenylbutan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]morpholine-4-carboxamide
CID 67663447

Frequently Asked Questions

What is the IUPAC name of N-[1-(1H-indol-6-ylamino)-1-oxo-3-phenylpropan-2-yl]morpholine-4-carboxamide?
The IUPAC name of N-[1-(1H-indol-6-ylamino)-1-oxo-3-phenylpropan-2-yl]morpholine-4-carboxamide (CID 75605295) is N-[1-(1H-indol-6-ylamino)-1-oxo-3-phenylpropan-2-yl]morpholine-4-carboxamide.
What is the SMILES notation for N-[1-(1H-indol-6-ylamino)-1-oxo-3-phenylpropan-2-yl]morpholine-4-carboxamide?
The canonical SMILES for N-[1-(1H-indol-6-ylamino)-1-oxo-3-phenylpropan-2-yl]morpholine-4-carboxamide is O=C(Nc1ccc2cc[nH]c2c1)C(Cc1ccccc1)NC(=O)N1CCOCC1.
What is the InChIKey of N-[1-(1H-indol-6-ylamino)-1-oxo-3-phenylpropan-2-yl]morpholine-4-carboxamide?
The InChIKey is OLMQCWDUDZBLIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O3/c27-21(24-18-7-6-17-8-9-23-19(17)15-18)20(14-16-4-2-1-3-5-16)25-22(28)26-10-12-29-13-11-26/h1-9,15,20,23H,10-14H2,(H,24,27)(H,25,28).
What are the key properties of N-[1-(1H-indol-6-ylamino)-1-oxo-3-phenylpropan-2-yl]morpholine-4-carboxamide?
N-[1-(1H-indol-6-ylamino)-1-oxo-3-phenylpropan-2-yl]morpholine-4-carboxamide has a molecular weight of 392.46 g/mol, XLogP of 2.76, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1H-indol-6-ylamino)-1-oxo-3-phenylpropan-2-yl]morpholine-4-carboxamide is sourced from PubChem (CID 75605295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).