(2R)-N-cyclopropyl-2-[[(2S)-2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]amino]propanamide

C23H27N3O2 — CID 8644968

IUPAC(2R)-N-cyclopropyl-2-[[(2S)-2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]amino]propanamide
SMILESCOc1ccc([C@H](CN[C@H](C)C(=O)NC2CC2)c2c[nH]c3ccccc23)cc1
InChIInChI=1S/C23H27N3O2/c1-15(23(27)26-17-9-10-17)24-13-20(16-7-11-18(28-2)12-8-16)21-14-25-22-6-4-3-5-19(21)22/h3-8,11-12,14-15,17,20,24-25H,9-10,13H2,1-2H3,(H,26,27)/t15-,20+/m1/s1
InChIKeyOERSHRVFNGYWRI-QRWLVFNGSA-N
MW377.49 g/mol
LogP3.57
Rot. Bonds8

About (2R)-N-cyclopropyl-2-[[(2S)-2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]amino]propanamide

(2R)-N-cyclopropyl-2-[[(2S)-2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]amino]propanamide (PubChem CID 8644968) has the molecular formula C23H27N3O2 and a molecular weight of 377.49 g/mol. Its IUPAC name is (2R)-N-cyclopropyl-2-[[(2S)-2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]amino]propanamide.

Molecular Properties

Compound Name(2R)-N-cyclopropyl-2-[[(2S)-2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]amino]propanamide
PubChem CID8644968
Molecular FormulaC23H27N3O2
Molecular Weight377.49 g/mol
Exact Mass377.21
IUPAC Name(2R)-N-cyclopropyl-2-[[(2S)-2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]amino]propanamide
SMILESCOc1ccc([C@H](CN[C@H](C)C(=O)NC2CC2)c2c[nH]c3ccccc23)cc1
InChIInChI=1S/C23H27N3O2/c1-15(23(27)26-17-9-10-17)24-13-20(16-7-11-18(28-2)12-8-16)21-14-25-22-6-4-3-5-19(21)22/h3-8,11-12,14-15,17,20,24-25H,9-10,13H2,1-2H3,(H,26,27)/t15-,20+/m1/s1
InChIKeyOERSHRVFNGYWRI-QRWLVFNGSA-N
XLogP3.57
TPSA66.15 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.49
LogP ≤ 53.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-[[(2R)-2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]amino]-N-methylpropanamide
CID 8645036
(2R)-N-ethyl-2-[[(2R)-2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]amino]propanamide
CID 8645044
(2R)-N-cyclohexyl-2-[[(2R)-2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]amino]-N-methylpropanamide
CID 8645004
(2R)-1-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-2-[[(2S)-2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]amino]propan-1-one
CID 8644960
N-[(2S)-2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]butanamide
CID 31818454
N-[2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]azetidine-2-carboxamide
CID 167880363
(2S)-1-(2,3-dihydroindol-1-yl)-2-[[(2R)-2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]amino]propan-1-one
CID 40988675
N-[(2S)-2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]propanamide
CID 31216063
N-[2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]-2-methylsulfonylpropanamide
CID 60544253
(2S)-N-carbamoyl-2-[[(2R)-2-(1H-indol-3-yl)-2-phenylethyl]amino]propanamide
CID 8645365
N-[2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]-2-[4-(propan-2-ylamino)piperidin-1-yl]acetamide
CID 56542544
2-amino-N-[2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]pentanamide
CID 119266811

Frequently Asked Questions

What is the IUPAC name of (2R)-N-cyclopropyl-2-[[(2S)-2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]amino]propanamide?
The IUPAC name of (2R)-N-cyclopropyl-2-[[(2S)-2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]amino]propanamide (CID 8644968) is (2R)-N-cyclopropyl-2-[[(2S)-2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]amino]propanamide.
What is the SMILES notation for (2R)-N-cyclopropyl-2-[[(2S)-2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]amino]propanamide?
The canonical SMILES for (2R)-N-cyclopropyl-2-[[(2S)-2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]amino]propanamide is COc1ccc([C@H](CN[C@H](C)C(=O)NC2CC2)c2c[nH]c3ccccc23)cc1.
What is the InChIKey of (2R)-N-cyclopropyl-2-[[(2S)-2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]amino]propanamide?
The InChIKey is OERSHRVFNGYWRI-QRWLVFNGSA-N. The full InChI is InChI=1S/C23H27N3O2/c1-15(23(27)26-17-9-10-17)24-13-20(16-7-11-18(28-2)12-8-16)21-14-25-22-6-4-3-5-19(21)22/h3-8,11-12,14-15,17,20,24-25H,9-10,13H2,1-2H3,(H,26,27)/t15-,20+/m1/s1.
What are the key properties of (2R)-N-cyclopropyl-2-[[(2S)-2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]amino]propanamide?
(2R)-N-cyclopropyl-2-[[(2S)-2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]amino]propanamide has a molecular weight of 377.49 g/mol, XLogP of 3.57, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-cyclopropyl-2-[[(2S)-2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]amino]propanamide is sourced from PubChem (CID 8644968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).