N'-[(1R)-1-phenylethyl]-N-(2-propoxyphenyl)butanediamide

C21H26N2O3 — CID 97098873

IUPACN'-[(1R)-1-phenylethyl]-N-(2-propoxyphenyl)butanediamide
SMILESCCCOc1ccccc1NC(=O)CCC(=O)N[C@H](C)c1ccccc1
InChIInChI=1S/C21H26N2O3/c1-3-15-26-19-12-8-7-11-18(19)23-21(25)14-13-20(24)22-16(2)17-9-5-4-6-10-17/h4-12,16H,3,13-15H2,1-2H3,(H,22,24)(H,23,25)/t16-/m1/s1
InChIKeySREUIVIOBCUCKR-MRXNPFEDSA-N
MW354.45 g/mol
LogP4.07
Rot. Bonds9

About N'-[(1R)-1-phenylethyl]-N-(2-propoxyphenyl)butanediamide

N'-[(1R)-1-phenylethyl]-N-(2-propoxyphenyl)butanediamide (PubChem CID 97098873) has the molecular formula C21H26N2O3 and a molecular weight of 354.45 g/mol. Its IUPAC name is N'-[(1R)-1-phenylethyl]-N-(2-propoxyphenyl)butanediamide.

Molecular Properties

Compound NameN'-[(1R)-1-phenylethyl]-N-(2-propoxyphenyl)butanediamide
PubChem CID97098873
Molecular FormulaC21H26N2O3
Molecular Weight354.45 g/mol
Exact Mass354.19
IUPAC NameN'-[(1R)-1-phenylethyl]-N-(2-propoxyphenyl)butanediamide
SMILESCCCOc1ccccc1NC(=O)CCC(=O)N[C@H](C)c1ccccc1
InChIInChI=1S/C21H26N2O3/c1-3-15-26-19-12-8-7-11-18(19)23-21(25)14-13-20(24)22-16(2)17-9-5-4-6-10-17/h4-12,16H,3,13-15H2,1-2H3,(H,22,24)(H,23,25)/t16-/m1/s1
InChIKeySREUIVIOBCUCKR-MRXNPFEDSA-N
XLogP4.07
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.45
LogP ≤ 54.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-N-(2-propoxyphenyl)propanamide;hydrochloride
CID 119268305
4-(propan-2-ylamino)-N-(2-propoxyphenyl)butanamide
CID 60851317
N-(2-methoxyphenyl)-N'-(1-phenylethyl)propanediamide
CID 108945965
5-chloro-N-(2-propoxyphenyl)pentanamide
CID 43697480
N,N'-bis(2-butoxyphenyl)hexanediamide
CID 17087317
N-(2-butoxyphenyl)propanamide
CID 15943029
2-anilino-N-(2-propoxyphenyl)acetamide
CID 51286142
3-(4-fluorophenoxy)-N-(2-propoxyphenyl)propanamide
CID 31997887
N-(2-butoxyphenyl)tetradecanamide
CID 54789601
2-methylsulfanyl-N-(2-propoxyphenyl)acetamide
CID 112793569
14-(2-butoxyanilino)-14-oxotetradecanoic acid
CID 57100527
3-(furan-2-yl)-N-(2-propoxyphenyl)propanamide
CID 78772786

Frequently Asked Questions

What is the IUPAC name of N'-[(1R)-1-phenylethyl]-N-(2-propoxyphenyl)butanediamide?
The IUPAC name of N'-[(1R)-1-phenylethyl]-N-(2-propoxyphenyl)butanediamide (CID 97098873) is N'-[(1R)-1-phenylethyl]-N-(2-propoxyphenyl)butanediamide.
What is the SMILES notation for N'-[(1R)-1-phenylethyl]-N-(2-propoxyphenyl)butanediamide?
The canonical SMILES for N'-[(1R)-1-phenylethyl]-N-(2-propoxyphenyl)butanediamide is CCCOc1ccccc1NC(=O)CCC(=O)N[C@H](C)c1ccccc1.
What is the InChIKey of N'-[(1R)-1-phenylethyl]-N-(2-propoxyphenyl)butanediamide?
The InChIKey is SREUIVIOBCUCKR-MRXNPFEDSA-N. The full InChI is InChI=1S/C21H26N2O3/c1-3-15-26-19-12-8-7-11-18(19)23-21(25)14-13-20(24)22-16(2)17-9-5-4-6-10-17/h4-12,16H,3,13-15H2,1-2H3,(H,22,24)(H,23,25)/t16-/m1/s1.
What are the key properties of N'-[(1R)-1-phenylethyl]-N-(2-propoxyphenyl)butanediamide?
N'-[(1R)-1-phenylethyl]-N-(2-propoxyphenyl)butanediamide has a molecular weight of 354.45 g/mol, XLogP of 4.07, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(1R)-1-phenylethyl]-N-(2-propoxyphenyl)butanediamide is sourced from PubChem (CID 97098873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).