(2S)-2-[[4-(1-phenylethoxy)phenyl]methylamino]propanamide

C18H22N2O2 — CID 70078273

IUPAC(2S)-2-[[4-(1-phenylethoxy)phenyl]methylamino]propanamide
SMILESCC(Oc1ccc(CN[C@@H](C)C(N)=O)cc1)c1ccccc1
InChIInChI=1S/C18H22N2O2/c1-13(18(19)21)20-12-15-8-10-17(11-9-15)22-14(2)16-6-4-3-5-7-16/h3-11,13-14,20H,12H2,1-2H3,(H2,19,21)/t13-,14?/m0/s1
InChIKeyFSHJUUGBBILVBO-LSLKUGRBSA-N
MW298.39 g/mol
LogP2.79
Rot. Bonds7

About (2S)-2-[[4-(1-phenylethoxy)phenyl]methylamino]propanamide

(2S)-2-[[4-(1-phenylethoxy)phenyl]methylamino]propanamide (PubChem CID 70078273) has the molecular formula C18H22N2O2 and a molecular weight of 298.39 g/mol. Its IUPAC name is (2S)-2-[[4-(1-phenylethoxy)phenyl]methylamino]propanamide.

Molecular Properties

Compound Name(2S)-2-[[4-(1-phenylethoxy)phenyl]methylamino]propanamide
PubChem CID70078273
Molecular FormulaC18H22N2O2
Molecular Weight298.39 g/mol
Exact Mass298.17
IUPAC Name(2S)-2-[[4-(1-phenylethoxy)phenyl]methylamino]propanamide
SMILESCC(Oc1ccc(CN[C@@H](C)C(N)=O)cc1)c1ccccc1
InChIInChI=1S/C18H22N2O2/c1-13(18(19)21)20-12-15-8-10-17(11-9-15)22-14(2)16-6-4-3-5-7-16/h3-11,13-14,20H,12H2,1-2H3,(H2,19,21)/t13-,14?/m0/s1
InChIKeyFSHJUUGBBILVBO-LSLKUGRBSA-N
XLogP2.79
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-[[4-(2-amino-2-oxoethoxy)phenyl]methylamino]propanamide
CID 39756608
methyl 2-[(4-propan-2-yloxyphenyl)methylamino]propanoate
CID 60781966
ethane;methyl 2-(benzylamino)propanoate
CID 91349755
2-[(4-bromophenyl)methylamino]propanamide
CID 43402314
(2R)-2-[(4-pentoxyphenyl)methylamino]propanamide
CID 93037212
2-[[4-[(2-fluorophenyl)methoxy]phenyl]methylamino]propanamide;hydrochloride
CID 67125309
methyl 2-[(4-methoxyphenyl)methylamino]propanoate
CID 60780821
(2S)-2-[[4-(cyclopropylmethoxy)phenyl]methylamino]propanamide
CID 10490793
2-[[4-(ethoxymethyl)phenyl]methylamino]-2-phenylacetamide
CID 56811841
4-[(1S)-1-phenylethoxy]benzoic acid
CID 28604848
(2S)-2-[(3-phenylmethoxyphenyl)methylamino]propanamide
CID 10708191
methyl 4-[(1R)-1-phenylethoxy]benzoate
CID 163226081

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[[4-(1-phenylethoxy)phenyl]methylamino]propanamide?
The IUPAC name of (2S)-2-[[4-(1-phenylethoxy)phenyl]methylamino]propanamide (CID 70078273) is (2S)-2-[[4-(1-phenylethoxy)phenyl]methylamino]propanamide.
What is the SMILES notation for (2S)-2-[[4-(1-phenylethoxy)phenyl]methylamino]propanamide?
The canonical SMILES for (2S)-2-[[4-(1-phenylethoxy)phenyl]methylamino]propanamide is CC(Oc1ccc(CN[C@@H](C)C(N)=O)cc1)c1ccccc1.
What is the InChIKey of (2S)-2-[[4-(1-phenylethoxy)phenyl]methylamino]propanamide?
The InChIKey is FSHJUUGBBILVBO-LSLKUGRBSA-N. The full InChI is InChI=1S/C18H22N2O2/c1-13(18(19)21)20-12-15-8-10-17(11-9-15)22-14(2)16-6-4-3-5-7-16/h3-11,13-14,20H,12H2,1-2H3,(H2,19,21)/t13-,14?/m0/s1.
What are the key properties of (2S)-2-[[4-(1-phenylethoxy)phenyl]methylamino]propanamide?
(2S)-2-[[4-(1-phenylethoxy)phenyl]methylamino]propanamide has a molecular weight of 298.39 g/mol, XLogP of 2.79, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[[4-(1-phenylethoxy)phenyl]methylamino]propanamide is sourced from PubChem (CID 70078273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).