(2S)-4-(4-chlorophenyl)-2-methoxy-N-[2-(3-methoxy-4-propan-2-yloxyphenyl)ethyl]butanamide

C23H30ClNO4 — CID 142673521

IUPAC(2S)-4-(4-chlorophenyl)-2-methoxy-N-[2-(3-methoxy-4-propan-2-yloxyphenyl)ethyl]butanamide
SMILESCOc1cc(CCNC(=O)[C@H](CCc2ccc(Cl)cc2)OC)ccc1OC(C)C
InChIInChI=1S/C23H30ClNO4/c1-16(2)29-20-11-8-18(15-22(20)28-4)13-14-25-23(26)21(27-3)12-7-17-5-9-19(24)10-6-17/h5-6,8-11,15-16,21H,7,12-14H2,1-4H3,(H,25,26)/t21-/m0/s1
InChIKeyFTPPJSLBFZAKSY-NRFANRHFSA-N
MW419.95 g/mol
LogP4.44
Rot. Bonds11

About (2S)-4-(4-chlorophenyl)-2-methoxy-N-[2-(3-methoxy-4-propan-2-yloxyphenyl)ethyl]butanamide

(2S)-4-(4-chlorophenyl)-2-methoxy-N-[2-(3-methoxy-4-propan-2-yloxyphenyl)ethyl]butanamide (PubChem CID 142673521) has the molecular formula C23H30ClNO4 and a molecular weight of 419.95 g/mol. Its IUPAC name is (2S)-4-(4-chlorophenyl)-2-methoxy-N-[2-(3-methoxy-4-propan-2-yloxyphenyl)ethyl]butanamide.

Molecular Properties

Compound Name(2S)-4-(4-chlorophenyl)-2-methoxy-N-[2-(3-methoxy-4-propan-2-yloxyphenyl)ethyl]butanamide
PubChem CID142673521
Molecular FormulaC23H30ClNO4
Molecular Weight419.95 g/mol
Exact Mass419.19
IUPAC Name(2S)-4-(4-chlorophenyl)-2-methoxy-N-[2-(3-methoxy-4-propan-2-yloxyphenyl)ethyl]butanamide
SMILESCOc1cc(CCNC(=O)[C@H](CCc2ccc(Cl)cc2)OC)ccc1OC(C)C
InChIInChI=1S/C23H30ClNO4/c1-16(2)29-20-11-8-18(15-22(20)28-4)13-14-25-23(26)21(27-3)12-7-17-5-9-19(24)10-6-17/h5-6,8-11,15-16,21H,7,12-14H2,1-4H3,(H,25,26)/t21-/m0/s1
InChIKeyFTPPJSLBFZAKSY-NRFANRHFSA-N
XLogP4.44
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.95
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-methoxy-N-[2-(3-methoxy-4-propan-2-yloxyphenyl)ethyl]-4-phenylbutanamide
CID 142673511
(2S)-4-(4-chlorophenyl)-2-methoxy-N-[2-(3-methoxy-4-prop-2-ynoxyphenyl)ethyl]butanamide
CID 87258708
4-(4-fluorophenyl)-N-[2-(3-methoxy-4-propan-2-yloxyphenyl)ethyl]-2-propan-2-yloxybutanamide
CID 142673515
(2S)-3-(4-chlorophenoxy)-2-ethoxy-N-[2-(3-methoxy-4-propan-2-yloxyphenyl)ethyl]propanamide
CID 142673381
(2S)-3-(4-chlorophenoxy)-2-hydroxy-N-[2-(3-methoxy-4-propan-2-yloxyphenyl)ethyl]propanamide
CID 142673407
(2R)-2-ethoxy-4-(4-fluorophenyl)-N-[2-(3-methoxy-4-propan-2-yloxyphenyl)ethyl]butanamide
CID 142673411
3-(3,4-dichlorophenoxy)-2-methoxy-N-[2-(3-methoxy-4-propan-2-yloxyphenyl)ethyl]propanamide
CID 142673450
3-(4-chlorophenoxy)-N-[2-(3-methoxy-4-propan-2-yloxyphenyl)ethyl]-2-prop-2-ynoxypropanamide
CID 152565118
(2R)-2-methoxy-N-[2-(3-methoxy-4-propan-2-yloxyphenyl)ethyl]-3-phenoxypropanamide
CID 142673497
2-hydroxy-N-[2-(3-methoxy-4-propan-2-yloxyphenyl)ethyl]-4-(4-methylphenyl)butanamide
CID 142673464
(2R)-2-(4-chlorophenoxy)-N-[2-(3,4-dimethoxyphenyl)ethyl]propanamide
CID 51532938
1-[2-(4-chlorophenyl)ethyl]-3-[2-(3,4-dimethoxyphenyl)ethyl]urea
CID 108891453

Frequently Asked Questions

What is the IUPAC name of (2S)-4-(4-chlorophenyl)-2-methoxy-N-[2-(3-methoxy-4-propan-2-yloxyphenyl)ethyl]butanamide?
The IUPAC name of (2S)-4-(4-chlorophenyl)-2-methoxy-N-[2-(3-methoxy-4-propan-2-yloxyphenyl)ethyl]butanamide (CID 142673521) is (2S)-4-(4-chlorophenyl)-2-methoxy-N-[2-(3-methoxy-4-propan-2-yloxyphenyl)ethyl]butanamide.
What is the SMILES notation for (2S)-4-(4-chlorophenyl)-2-methoxy-N-[2-(3-methoxy-4-propan-2-yloxyphenyl)ethyl]butanamide?
The canonical SMILES for (2S)-4-(4-chlorophenyl)-2-methoxy-N-[2-(3-methoxy-4-propan-2-yloxyphenyl)ethyl]butanamide is COc1cc(CCNC(=O)[C@H](CCc2ccc(Cl)cc2)OC)ccc1OC(C)C.
What is the InChIKey of (2S)-4-(4-chlorophenyl)-2-methoxy-N-[2-(3-methoxy-4-propan-2-yloxyphenyl)ethyl]butanamide?
The InChIKey is FTPPJSLBFZAKSY-NRFANRHFSA-N. The full InChI is InChI=1S/C23H30ClNO4/c1-16(2)29-20-11-8-18(15-22(20)28-4)13-14-25-23(26)21(27-3)12-7-17-5-9-19(24)10-6-17/h5-6,8-11,15-16,21H,7,12-14H2,1-4H3,(H,25,26)/t21-/m0/s1.
What are the key properties of (2S)-4-(4-chlorophenyl)-2-methoxy-N-[2-(3-methoxy-4-propan-2-yloxyphenyl)ethyl]butanamide?
(2S)-4-(4-chlorophenyl)-2-methoxy-N-[2-(3-methoxy-4-propan-2-yloxyphenyl)ethyl]butanamide has a molecular weight of 419.95 g/mol, XLogP of 4.44, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-(4-chlorophenyl)-2-methoxy-N-[2-(3-methoxy-4-propan-2-yloxyphenyl)ethyl]butanamide is sourced from PubChem (CID 142673521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).