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

C28H29N3O — CID 8645210

IUPAC(2S)-N-cyclopropyl-2-[[(2S)-2-phenyl-2-(2-phenyl-1H-indol-3-yl)ethyl]amino]propanamide
SMILESC[C@H](NC[C@@H](c1ccccc1)c1c(-c2ccccc2)[nH]c2ccccc12)C(=O)NC1CC1
InChIInChI=1S/C28H29N3O/c1-19(28(32)30-22-16-17-22)29-18-24(20-10-4-2-5-11-20)26-23-14-8-9-15-25(23)31-27(26)21-12-6-3-7-13-21/h2-15,19,22,24,29,31H,16-18H2,1H3,(H,30,32)/t19-,24-/m0/s1
InChIKeyQPPBYOARHFABQO-CYFREDJKSA-N
MW423.56 g/mol
LogP5.22
Rot. Bonds8

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

(2S)-N-cyclopropyl-2-[[(2S)-2-phenyl-2-(2-phenyl-1H-indol-3-yl)ethyl]amino]propanamide (PubChem CID 8645210) has the molecular formula C28H29N3O and a molecular weight of 423.56 g/mol. Its IUPAC name is (2S)-N-cyclopropyl-2-[[(2S)-2-phenyl-2-(2-phenyl-1H-indol-3-yl)ethyl]amino]propanamide.

Molecular Properties

Compound Name(2S)-N-cyclopropyl-2-[[(2S)-2-phenyl-2-(2-phenyl-1H-indol-3-yl)ethyl]amino]propanamide
PubChem CID8645210
Molecular FormulaC28H29N3O
Molecular Weight423.56 g/mol
Exact Mass423.23
IUPAC Name(2S)-N-cyclopropyl-2-[[(2S)-2-phenyl-2-(2-phenyl-1H-indol-3-yl)ethyl]amino]propanamide
SMILESC[C@H](NC[C@@H](c1ccccc1)c1c(-c2ccccc2)[nH]c2ccccc12)C(=O)NC1CC1
InChIInChI=1S/C28H29N3O/c1-19(28(32)30-22-16-17-22)29-18-24(20-10-4-2-5-11-20)26-23-14-8-9-15-25(23)31-27(26)21-12-6-3-7-13-21/h2-15,19,22,24,29,31H,16-18H2,1H3,(H,30,32)/t19-,24-/m0/s1
InChIKeyQPPBYOARHFABQO-CYFREDJKSA-N
XLogP5.22
TPSA56.92 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500423.56
LogP ≤ 55.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

[2-phenyl-2-(2-phenyl-1H-indol-3-yl)ethyl]urea
CID 118908898
(2R)-N-cyclopropyl-2-[[(2S)-2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]amino]propanamide
CID 8644968
N-cyclohexyl-2-(2-phenylpropylamino)propanamide
CID 115569785
(2S)-2-(benzhydrylamino)-N-cyclopropylpropanamide
CID 7614348
methyl (2R)-2-(2-phenyl-1H-indol-3-yl)propanoate
CID 146165176
N-cyclopropyl-2-[[(1S)-1-phenylethyl]amino]propanamide
CID 55251616
N-cyclopropyl-2-(1-phenylethylamino)propanamide
CID 43085781
2-(2,2-diphenylethylamino)-N-methylpropanamide
CID 103603774
5-methyl-2,4-dioxo-N-[2-phenyl-2-(2-phenyl-1H-indol-3-yl)ethyl]-1H-pyrido[2,3-d]pyrimidine-7-carboxamide
CID 166335392
[(2S)-1-(cyclopropylamino)-1-oxopropan-2-yl]-[(2S)-2-(1H-indol-3-yl)-2-phenylethyl]azanium
CID 8645346
[(3S)-2-oxooxolan-3-yl]-[(2R)-2-phenyl-2-(2-phenyl-1H-indol-3-yl)ethyl]azanium
CID 8645206
(2S)-2-(benzhydrylamino)-N-cyclopentylpropanamide
CID 8005843

Frequently Asked Questions

What is the IUPAC name of (2S)-N-cyclopropyl-2-[[(2S)-2-phenyl-2-(2-phenyl-1H-indol-3-yl)ethyl]amino]propanamide?
The IUPAC name of (2S)-N-cyclopropyl-2-[[(2S)-2-phenyl-2-(2-phenyl-1H-indol-3-yl)ethyl]amino]propanamide (CID 8645210) is (2S)-N-cyclopropyl-2-[[(2S)-2-phenyl-2-(2-phenyl-1H-indol-3-yl)ethyl]amino]propanamide.
What is the SMILES notation for (2S)-N-cyclopropyl-2-[[(2S)-2-phenyl-2-(2-phenyl-1H-indol-3-yl)ethyl]amino]propanamide?
The canonical SMILES for (2S)-N-cyclopropyl-2-[[(2S)-2-phenyl-2-(2-phenyl-1H-indol-3-yl)ethyl]amino]propanamide is C[C@H](NC[C@@H](c1ccccc1)c1c(-c2ccccc2)[nH]c2ccccc12)C(=O)NC1CC1.
What is the InChIKey of (2S)-N-cyclopropyl-2-[[(2S)-2-phenyl-2-(2-phenyl-1H-indol-3-yl)ethyl]amino]propanamide?
The InChIKey is QPPBYOARHFABQO-CYFREDJKSA-N. The full InChI is InChI=1S/C28H29N3O/c1-19(28(32)30-22-16-17-22)29-18-24(20-10-4-2-5-11-20)26-23-14-8-9-15-25(23)31-27(26)21-12-6-3-7-13-21/h2-15,19,22,24,29,31H,16-18H2,1H3,(H,30,32)/t19-,24-/m0/s1.
What are the key properties of (2S)-N-cyclopropyl-2-[[(2S)-2-phenyl-2-(2-phenyl-1H-indol-3-yl)ethyl]amino]propanamide?
(2S)-N-cyclopropyl-2-[[(2S)-2-phenyl-2-(2-phenyl-1H-indol-3-yl)ethyl]amino]propanamide has a molecular weight of 423.56 g/mol, XLogP of 5.22, 8 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-cyclopropyl-2-[[(2S)-2-phenyl-2-(2-phenyl-1H-indol-3-yl)ethyl]amino]propanamide is sourced from PubChem (CID 8645210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).