(2S)-N-[2-(dimethylamino)ethyl]-2-[(5-phenoxy-2-pyridinyl)carbamoylamino]-3-phenylpropanamide

C25H29N5O3 — CID 146147668

IUPAC(2S)-N-[2-(dimethylamino)ethyl]-2-[(5-phenoxy-2-pyridinyl)carbamoylamino]-3-phenylpropanamide
SMILESCN(C)CCNC(=O)[C@H](Cc1ccccc1)NC(=O)Nc1ccc(Oc2ccccc2)cn1
InChIInChI=1S/C25H29N5O3/c1-30(2)16-15-26-24(31)22(17-19-9-5-3-6-10-19)28-25(32)29-23-14-13-21(18-27-23)33-20-11-7-4-8-12-20/h3-14,18,22H,15-17H2,1-2H3,(H,26,31)(H2,27,28,29,32)/t22-/m0/s1
InChIKeyCRYYZHVFZZQCKA-QFIPXVFZSA-N
MW447.54 g/mol
LogP3.28
Rot. Bonds10

About (2S)-N-[2-(dimethylamino)ethyl]-2-[(5-phenoxy-2-pyridinyl)carbamoylamino]-3-phenylpropanamide

(2S)-N-[2-(dimethylamino)ethyl]-2-[(5-phenoxy-2-pyridinyl)carbamoylamino]-3-phenylpropanamide (PubChem CID 146147668) has the molecular formula C25H29N5O3 and a molecular weight of 447.54 g/mol. Its IUPAC name is (2S)-N-[2-(dimethylamino)ethyl]-2-[(5-phenoxy-2-pyridinyl)carbamoylamino]-3-phenylpropanamide.

Molecular Properties

Compound Name(2S)-N-[2-(dimethylamino)ethyl]-2-[(5-phenoxy-2-pyridinyl)carbamoylamino]-3-phenylpropanamide
PubChem CID146147668
Molecular FormulaC25H29N5O3
Molecular Weight447.54 g/mol
Exact Mass447.23
IUPAC Name(2S)-N-[2-(dimethylamino)ethyl]-2-[(5-phenoxy-2-pyridinyl)carbamoylamino]-3-phenylpropanamide
SMILESCN(C)CCNC(=O)[C@H](Cc1ccccc1)NC(=O)Nc1ccc(Oc2ccccc2)cn1
InChIInChI=1S/C25H29N5O3/c1-30(2)16-15-26-24(31)22(17-19-9-5-3-6-10-19)28-25(32)29-23-14-13-21(18-27-23)33-20-11-7-4-8-12-20/h3-14,18,22H,15-17H2,1-2H3,(H,26,31)(H2,27,28,29,32)/t22-/m0/s1
InChIKeyCRYYZHVFZZQCKA-QFIPXVFZSA-N
XLogP3.28
TPSA95.59 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.54
LogP ≤ 53.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

(3S)-N-[2-(dimethylamino)ethyl]-3-[(4-phenoxyphenyl)carbamoylamino]-4-phenylbutanamide
CID 58843177
benzyl N-[(2S)-1-[3-(dimethylamino)propylamino]-1-oxo-3-phenylpropan-2-yl]carbamate
CID 71211469
(2S)-N-(3-cyclopentylpropyl)-2-[(3-phenoxyphenyl)carbamoylamino]-3-phenylpropanamide
CID 58843180
5-[2-(dimethylamino)ethylamino]-N-(4-phenoxyphenyl)pyrazine-2-carboxamide
CID 109277421
1-(5-phenoxy-2-pyridinyl)-3-(3-pyrazol-1-ylpropyl)urea
CID 75456115
N-(6-aminohexyl)-3-phenyl-2-[(4-phenylmethoxyphenyl)carbamoylamino]propanamide
CID 69109708
2-(carbamoylamino)-N-(4-phenoxyphenyl)-3-phenylpropanamide
CID 18160503
tert-butyl N-[1-[2-(N-methylanilino)ethylamino]-1-oxo-3-phenylpropan-2-yl]carbamate
CID 55543510
N-[1-oxo-1-(2-phenoxyethylamino)-3-phenylpropan-2-yl]benzamide
CID 3880826
(2S)-2-(dodecylcarbamoylamino)-N-[6-[[(2S)-2-(dodecylcarbamoylamino)-3-phenylpropanoyl]amino]hexyl]-3-phenylpropanamide
CID 102449042
benzyl N-[1-oxo-1-(2-phenoxyethylamino)-3-phenylpropan-2-yl]carbamate
CID 2973242
N-[2-(3,4-dimethoxyphenyl)ethyl]-3-phenyl-2-(phenylcarbamoylamino)propanamide
CID 42704104

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[2-(dimethylamino)ethyl]-2-[(5-phenoxy-2-pyridinyl)carbamoylamino]-3-phenylpropanamide?
The IUPAC name of (2S)-N-[2-(dimethylamino)ethyl]-2-[(5-phenoxy-2-pyridinyl)carbamoylamino]-3-phenylpropanamide (CID 146147668) is (2S)-N-[2-(dimethylamino)ethyl]-2-[(5-phenoxy-2-pyridinyl)carbamoylamino]-3-phenylpropanamide.
What is the SMILES notation for (2S)-N-[2-(dimethylamino)ethyl]-2-[(5-phenoxy-2-pyridinyl)carbamoylamino]-3-phenylpropanamide?
The canonical SMILES for (2S)-N-[2-(dimethylamino)ethyl]-2-[(5-phenoxy-2-pyridinyl)carbamoylamino]-3-phenylpropanamide is CN(C)CCNC(=O)[C@H](Cc1ccccc1)NC(=O)Nc1ccc(Oc2ccccc2)cn1.
What is the InChIKey of (2S)-N-[2-(dimethylamino)ethyl]-2-[(5-phenoxy-2-pyridinyl)carbamoylamino]-3-phenylpropanamide?
The InChIKey is CRYYZHVFZZQCKA-QFIPXVFZSA-N. The full InChI is InChI=1S/C25H29N5O3/c1-30(2)16-15-26-24(31)22(17-19-9-5-3-6-10-19)28-25(32)29-23-14-13-21(18-27-23)33-20-11-7-4-8-12-20/h3-14,18,22H,15-17H2,1-2H3,(H,26,31)(H2,27,28,29,32)/t22-/m0/s1.
What are the key properties of (2S)-N-[2-(dimethylamino)ethyl]-2-[(5-phenoxy-2-pyridinyl)carbamoylamino]-3-phenylpropanamide?
(2S)-N-[2-(dimethylamino)ethyl]-2-[(5-phenoxy-2-pyridinyl)carbamoylamino]-3-phenylpropanamide has a molecular weight of 447.54 g/mol, XLogP of 3.28, 10 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[2-(dimethylamino)ethyl]-2-[(5-phenoxy-2-pyridinyl)carbamoylamino]-3-phenylpropanamide is sourced from PubChem (CID 146147668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).