N-(3-amino-3-oxopropyl)-N-benzyl-2-(4-methylphenoxy)propanamide

C20H24N2O3 — CID 43888170

IUPACN-(3-amino-3-oxopropyl)-N-benzyl-2-(4-methylphenoxy)propanamide
SMILESCc1ccc(OC(C)C(=O)N(CCC(N)=O)Cc2ccccc2)cc1
InChIInChI=1S/C20H24N2O3/c1-15-8-10-18(11-9-15)25-16(2)20(24)22(13-12-19(21)23)14-17-6-4-3-5-7-17/h3-11,16H,12-14H2,1-2H3,(H2,21,23)
InChIKeyXSXWOYALNNFHPD-UHFFFAOYSA-N
MW340.42 g/mol
LogP2.67
Rot. Bonds8

About N-(3-amino-3-oxopropyl)-N-benzyl-2-(4-methylphenoxy)propanamide

N-(3-amino-3-oxopropyl)-N-benzyl-2-(4-methylphenoxy)propanamide (PubChem CID 43888170) has the molecular formula C20H24N2O3 and a molecular weight of 340.42 g/mol. Its IUPAC name is N-(3-amino-3-oxopropyl)-N-benzyl-2-(4-methylphenoxy)propanamide.

Molecular Properties

Compound NameN-(3-amino-3-oxopropyl)-N-benzyl-2-(4-methylphenoxy)propanamide
PubChem CID43888170
Molecular FormulaC20H24N2O3
Molecular Weight340.42 g/mol
Exact Mass340.18
IUPAC NameN-(3-amino-3-oxopropyl)-N-benzyl-2-(4-methylphenoxy)propanamide
SMILESCc1ccc(OC(C)C(=O)N(CCC(N)=O)Cc2ccccc2)cc1
InChIInChI=1S/C20H24N2O3/c1-15-8-10-18(11-9-15)25-16(2)20(24)22(13-12-19(21)23)14-17-6-4-3-5-7-17/h3-11,16H,12-14H2,1-2H3,(H2,21,23)
InChIKeyXSXWOYALNNFHPD-UHFFFAOYSA-N
XLogP2.67
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.42
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 3-[benzyl-[2-(4-phenylphenoxy)propanoyl]amino]propanoate
CID 43910693
N-(3-amino-3-oxopropyl)-2-(2-methylphenoxy)-N-(2-phenylethyl)propanamide
CID 54790094
2-[benzyl-[2-(4-methoxyphenoxy)propanoyl]amino]acetic acid
CID 119196968
(2S)-2-amino-N-(3-amino-3-oxopropyl)-N-benzylbutanamide;hydrochloride
CID 119275227
ethyl 3-[benzyl-[2-(4-phenylphenoxy)butanoyl]amino]propanoate
CID 43910737
N-(3-aminopropyl)-N-benzyl-2-pyridin-3-yloxypropanamide
CID 120648074
N-benzyl-2-(3,5-dimethylphenoxy)-N-(furan-2-ylmethyl)propanamide
CID 18830852
1-N,4-N-bis(3-amino-3-oxopropyl)-1-N,4-N-dibenzylbenzene-1,4-dicarboxamide
CID 28642997
(2S)-N,N-dibenzyl-2-(2-methoxyphenoxy)propanamide
CID 40742883
N,N'-bis(3-amino-3-oxopropyl)-N,N'-dibenzylhexanediamide
CID 28642999
ethyl 3-[benzyl-[2-(4-methylphenoxy)acetyl]amino]propanoate
CID 43910600
3-[benzyl-[2-(2,5-dimethylphenyl)sulfanylacetyl]amino]propanamide
CID 42150550

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-3-oxopropyl)-N-benzyl-2-(4-methylphenoxy)propanamide?
The IUPAC name of N-(3-amino-3-oxopropyl)-N-benzyl-2-(4-methylphenoxy)propanamide (CID 43888170) is N-(3-amino-3-oxopropyl)-N-benzyl-2-(4-methylphenoxy)propanamide.
What is the SMILES notation for N-(3-amino-3-oxopropyl)-N-benzyl-2-(4-methylphenoxy)propanamide?
The canonical SMILES for N-(3-amino-3-oxopropyl)-N-benzyl-2-(4-methylphenoxy)propanamide is Cc1ccc(OC(C)C(=O)N(CCC(N)=O)Cc2ccccc2)cc1.
What is the InChIKey of N-(3-amino-3-oxopropyl)-N-benzyl-2-(4-methylphenoxy)propanamide?
The InChIKey is XSXWOYALNNFHPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O3/c1-15-8-10-18(11-9-15)25-16(2)20(24)22(13-12-19(21)23)14-17-6-4-3-5-7-17/h3-11,16H,12-14H2,1-2H3,(H2,21,23).
What are the key properties of N-(3-amino-3-oxopropyl)-N-benzyl-2-(4-methylphenoxy)propanamide?
N-(3-amino-3-oxopropyl)-N-benzyl-2-(4-methylphenoxy)propanamide has a molecular weight of 340.42 g/mol, XLogP of 2.67, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-3-oxopropyl)-N-benzyl-2-(4-methylphenoxy)propanamide is sourced from PubChem (CID 43888170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).