2-[[4-(2-amino-2-oxoethoxy)phenyl]methylamino]-N-propylacetamide

C14H21N3O3 — CID 43401621

IUPAC2-[[4-(2-amino-2-oxoethoxy)phenyl]methylamino]-N-propylacetamide
SMILESCCCNC(=O)CNCc1ccc(OCC(N)=O)cc1
InChIInChI=1S/C14H21N3O3/c1-2-7-17-14(19)9-16-8-11-3-5-12(6-4-11)20-10-13(15)18/h3-6,16H,2,7-10H2,1H3,(H2,15,18)(H,17,19)
InChIKeyUZEWXHIAMYHSTO-UHFFFAOYSA-N
MW279.34 g/mol
LogP0.17
Rot. Bonds9

About 2-[[4-(2-amino-2-oxoethoxy)phenyl]methylamino]-N-propylacetamide

2-[[4-(2-amino-2-oxoethoxy)phenyl]methylamino]-N-propylacetamide (PubChem CID 43401621) has the molecular formula C14H21N3O3 and a molecular weight of 279.34 g/mol. Its IUPAC name is 2-[[4-(2-amino-2-oxoethoxy)phenyl]methylamino]-N-propylacetamide.

Molecular Properties

Compound Name2-[[4-(2-amino-2-oxoethoxy)phenyl]methylamino]-N-propylacetamide
PubChem CID43401621
Molecular FormulaC14H21N3O3
Molecular Weight279.34 g/mol
Exact Mass279.16
IUPAC Name2-[[4-(2-amino-2-oxoethoxy)phenyl]methylamino]-N-propylacetamide
SMILESCCCNC(=O)CNCc1ccc(OCC(N)=O)cc1
InChIInChI=1S/C14H21N3O3/c1-2-7-17-14(19)9-16-8-11-3-5-12(6-4-11)20-10-13(15)18/h3-6,16H,2,7-10H2,1H3,(H2,15,18)(H,17,19)
InChIKeyUZEWXHIAMYHSTO-UHFFFAOYSA-N
XLogP0.17
TPSA93.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 50.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(4-ethoxyphenyl)methylamino]-N-ethylacetamide
CID 43398927
2-[4-[[(2-amino-2-oxoethyl)amino]methyl]phenoxy]acetic acid
CID 71422873
2-[[4-(2-amino-2-oxoethoxy)phenyl]methylamino]ethyl carbamate
CID 83211507
2-[4-[(2,2-dimethylpropylamino)methyl]phenoxy]acetamide
CID 61166013
3-[4-(propylaminomethyl)phenoxy]propanamide
CID 43276993
methyl 4-[[4-(2-amino-2-oxoethoxy)phenyl]methylamino]butanoate
CID 60782524
2-[4-[(furan-3-ylmethylamino)methyl]phenoxy]acetamide
CID 115585264
tert-butyl N-[[4-(2-amino-2-oxoethoxy)phenyl]methyl]carbamate
CID 54547080
2-[4-[(2,3-dimethylbutylamino)methyl]phenoxy]acetamide
CID 64568674
N-(2-methylpropyl)-2-[(4-propoxyphenyl)methylamino]acetamide
CID 115586624
N-propyl-2-[(4-pyrrolidin-1-ylphenyl)methylamino]acetamide
CID 43777789
2-[4-[(2,2,3-trimethylbutylamino)methyl]phenoxy]acetamide
CID 102609863

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(2-amino-2-oxoethoxy)phenyl]methylamino]-N-propylacetamide?
The IUPAC name of 2-[[4-(2-amino-2-oxoethoxy)phenyl]methylamino]-N-propylacetamide (CID 43401621) is 2-[[4-(2-amino-2-oxoethoxy)phenyl]methylamino]-N-propylacetamide.
What is the SMILES notation for 2-[[4-(2-amino-2-oxoethoxy)phenyl]methylamino]-N-propylacetamide?
The canonical SMILES for 2-[[4-(2-amino-2-oxoethoxy)phenyl]methylamino]-N-propylacetamide is CCCNC(=O)CNCc1ccc(OCC(N)=O)cc1.
What is the InChIKey of 2-[[4-(2-amino-2-oxoethoxy)phenyl]methylamino]-N-propylacetamide?
The InChIKey is UZEWXHIAMYHSTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O3/c1-2-7-17-14(19)9-16-8-11-3-5-12(6-4-11)20-10-13(15)18/h3-6,16H,2,7-10H2,1H3,(H2,15,18)(H,17,19).
What are the key properties of 2-[[4-(2-amino-2-oxoethoxy)phenyl]methylamino]-N-propylacetamide?
2-[[4-(2-amino-2-oxoethoxy)phenyl]methylamino]-N-propylacetamide has a molecular weight of 279.34 g/mol, XLogP of 0.17, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(2-amino-2-oxoethoxy)phenyl]methylamino]-N-propylacetamide is sourced from PubChem (CID 43401621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).