2-amino-N-[4-[2-(ethylamino)-2-oxoethyl]phenyl]-3-methoxypropanamide

C14H21N3O3 — CID 81083287

IUPAC2-amino-N-[4-[2-(ethylamino)-2-oxoethyl]phenyl]-3-methoxypropanamide
SMILESCCNC(=O)Cc1ccc(NC(=O)C(N)COC)cc1
InChIInChI=1S/C14H21N3O3/c1-3-16-13(18)8-10-4-6-11(7-5-10)17-14(19)12(15)9-20-2/h4-7,12H,3,8-9,15H2,1-2H3,(H,16,18)(H,17,19)
InChIKeyXULBQPWFFHNVPH-UHFFFAOYSA-N
MW279.34 g/mol
LogP0.28
Rot. Bonds7

About 2-amino-N-[4-[2-(ethylamino)-2-oxoethyl]phenyl]-3-methoxypropanamide

2-amino-N-[4-[2-(ethylamino)-2-oxoethyl]phenyl]-3-methoxypropanamide (PubChem CID 81083287) has the molecular formula C14H21N3O3 and a molecular weight of 279.34 g/mol. Its IUPAC name is 2-amino-N-[4-[2-(ethylamino)-2-oxoethyl]phenyl]-3-methoxypropanamide.

Molecular Properties

Compound Name2-amino-N-[4-[2-(ethylamino)-2-oxoethyl]phenyl]-3-methoxypropanamide
PubChem CID81083287
Molecular FormulaC14H21N3O3
Molecular Weight279.34 g/mol
Exact Mass279.16
IUPAC Name2-amino-N-[4-[2-(ethylamino)-2-oxoethyl]phenyl]-3-methoxypropanamide
SMILESCCNC(=O)Cc1ccc(NC(=O)C(N)COC)cc1
InChIInChI=1S/C14H21N3O3/c1-3-16-13(18)8-10-4-6-11(7-5-10)17-14(19)12(15)9-20-2/h4-7,12H,3,8-9,15H2,1-2H3,(H,16,18)(H,17,19)
InChIKeyXULBQPWFFHNVPH-UHFFFAOYSA-N
XLogP0.28
TPSA93.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 50.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-amino-N-[4-[2-(ethylamino)-2-oxoethyl]phenyl]-4-methylpentanamide
CID 104902669
2-amino-3-methoxy-N-[4-(propanoylamino)phenyl]propanamide;hydrochloride
CID 120986274
2-amino-N-(4-iodophenyl)-3-methoxypropanamide;hydrochloride
CID 120984756
2-amino-3-methoxy-N-[4-(2-methylsulfanylethyl)phenyl]propanamide;hydrochloride
CID 120988865
2-amino-N-(4-tert-butylphenyl)-3-methoxypropanamide
CID 81081326
N-[2-(4-acetamidophenyl)ethyl]-2-amino-3-methoxypropanamide
CID 120989107
ethyl 4-[(2-amino-3-methoxypropanoyl)amino]benzoate
CID 81088417
ethyl N-[4-[2-(ethylamino)-2-oxoethyl]phenyl]carbamate
CID 60747824
2-amino-3-methoxy-N-[4-(pyrrolidin-1-ylmethyl)phenyl]propanamide
CID 81082842
methyl 2-[[2-[4-[[(2S)-2-amino-3-phenylpropanoyl]amino]phenyl]acetyl]amino]acetate;hydrochloride
CID 119282834
2-amino-N-(3,4-dimethylphenyl)-3-methoxypropanamide
CID 81081537
2-amino-5-methoxy-N-[4-(propanoylamino)phenyl]pentanamide
CID 81086454

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[4-[2-(ethylamino)-2-oxoethyl]phenyl]-3-methoxypropanamide?
The IUPAC name of 2-amino-N-[4-[2-(ethylamino)-2-oxoethyl]phenyl]-3-methoxypropanamide (CID 81083287) is 2-amino-N-[4-[2-(ethylamino)-2-oxoethyl]phenyl]-3-methoxypropanamide.
What is the SMILES notation for 2-amino-N-[4-[2-(ethylamino)-2-oxoethyl]phenyl]-3-methoxypropanamide?
The canonical SMILES for 2-amino-N-[4-[2-(ethylamino)-2-oxoethyl]phenyl]-3-methoxypropanamide is CCNC(=O)Cc1ccc(NC(=O)C(N)COC)cc1.
What is the InChIKey of 2-amino-N-[4-[2-(ethylamino)-2-oxoethyl]phenyl]-3-methoxypropanamide?
The InChIKey is XULBQPWFFHNVPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O3/c1-3-16-13(18)8-10-4-6-11(7-5-10)17-14(19)12(15)9-20-2/h4-7,12H,3,8-9,15H2,1-2H3,(H,16,18)(H,17,19).
What are the key properties of 2-amino-N-[4-[2-(ethylamino)-2-oxoethyl]phenyl]-3-methoxypropanamide?
2-amino-N-[4-[2-(ethylamino)-2-oxoethyl]phenyl]-3-methoxypropanamide has a molecular weight of 279.34 g/mol, XLogP of 0.28, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[4-[2-(ethylamino)-2-oxoethyl]phenyl]-3-methoxypropanamide is sourced from PubChem (CID 81083287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).