N-[1-(4-methoxyphenyl)ethyl]-3-(propan-2-ylamino)propanamide

C15H24N2O2 — CID 66195262

IUPACN-[1-(4-methoxyphenyl)ethyl]-3-(propan-2-ylamino)propanamide
SMILESCOc1ccc(C(C)NC(=O)CCNC(C)C)cc1
InChIInChI=1S/C15H24N2O2/c1-11(2)16-10-9-15(18)17-12(3)13-5-7-14(19-4)8-6-13/h5-8,11-12,16H,9-10H2,1-4H3,(H,17,18)
InChIKeyTWHFMJPXFZWONO-UHFFFAOYSA-N
MW264.37 g/mol
LogP2.26
Rot. Bonds7

About N-[1-(4-methoxyphenyl)ethyl]-3-(propan-2-ylamino)propanamide

N-[1-(4-methoxyphenyl)ethyl]-3-(propan-2-ylamino)propanamide (PubChem CID 66195262) has the molecular formula C15H24N2O2 and a molecular weight of 264.37 g/mol. Its IUPAC name is N-[1-(4-methoxyphenyl)ethyl]-3-(propan-2-ylamino)propanamide.

Molecular Properties

Compound NameN-[1-(4-methoxyphenyl)ethyl]-3-(propan-2-ylamino)propanamide
PubChem CID66195262
Molecular FormulaC15H24N2O2
Molecular Weight264.37 g/mol
Exact Mass264.18
IUPAC NameN-[1-(4-methoxyphenyl)ethyl]-3-(propan-2-ylamino)propanamide
SMILESCOc1ccc(C(C)NC(=O)CCNC(C)C)cc1
InChIInChI=1S/C15H24N2O2/c1-11(2)16-10-9-15(18)17-12(3)13-5-7-14(19-4)8-6-13/h5-8,11-12,16H,9-10H2,1-4H3,(H,17,18)
InChIKeyTWHFMJPXFZWONO-UHFFFAOYSA-N
XLogP2.26
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1S)-1-(4-methoxyphenyl)ethyl]-4-(methylamino)butanamide
CID 81364091
2-(4-methoxyphenyl)-N-[(1R)-1-(4-methoxyphenyl)ethyl]acetamide
CID 94843836
4-amino-N-[(1S)-1-(4-methoxyphenyl)ethyl]butanamide
CID 81364090
4-chloro-N-[(1R)-1-(4-methoxyphenyl)ethyl]butanamide
CID 81371294
2-amino-N-[(1R)-1-(4-methoxyphenyl)ethyl]acetamide
CID 81364080
2-bromo-N-[(1S)-1-(4-methoxyphenyl)ethyl]acetamide
CID 81370298
3-cyano-N-[1-(4-methoxyphenyl)ethyl]propanamide
CID 166383618
3-[(4-methoxyphenyl)carbamoylamino]-N-[1-(4-propan-2-ylphenyl)ethyl]propanamide
CID 46571064
3-[[(1S)-1-(4-methoxyphenyl)ethyl]amino]propanoic acid
CID 81371134
N-(2-methoxyethyl)-3-[1-(4-methoxyphenyl)ethylamino]propanamide
CID 115712008
3-amino-N-[(1S)-1-(4-methoxyphenyl)ethyl]butanamide
CID 81363998
2-(2-methoxyethylamino)-N-[(1R)-1-(4-methoxyphenyl)ethyl]acetamide
CID 81364417

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-methoxyphenyl)ethyl]-3-(propan-2-ylamino)propanamide?
The IUPAC name of N-[1-(4-methoxyphenyl)ethyl]-3-(propan-2-ylamino)propanamide (CID 66195262) is N-[1-(4-methoxyphenyl)ethyl]-3-(propan-2-ylamino)propanamide.
What is the SMILES notation for N-[1-(4-methoxyphenyl)ethyl]-3-(propan-2-ylamino)propanamide?
The canonical SMILES for N-[1-(4-methoxyphenyl)ethyl]-3-(propan-2-ylamino)propanamide is COc1ccc(C(C)NC(=O)CCNC(C)C)cc1.
What is the InChIKey of N-[1-(4-methoxyphenyl)ethyl]-3-(propan-2-ylamino)propanamide?
The InChIKey is TWHFMJPXFZWONO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2/c1-11(2)16-10-9-15(18)17-12(3)13-5-7-14(19-4)8-6-13/h5-8,11-12,16H,9-10H2,1-4H3,(H,17,18).
What are the key properties of N-[1-(4-methoxyphenyl)ethyl]-3-(propan-2-ylamino)propanamide?
N-[1-(4-methoxyphenyl)ethyl]-3-(propan-2-ylamino)propanamide has a molecular weight of 264.37 g/mol, XLogP of 2.26, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-methoxyphenyl)ethyl]-3-(propan-2-ylamino)propanamide is sourced from PubChem (CID 66195262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).