N-(3-chloro-4-propoxyphenyl)-2-(prop-2-ynylamino)acetamide

C14H17ClN2O2 — CID 79286490

IUPACN-(3-chloro-4-propoxyphenyl)-2-(prop-2-ynylamino)acetamide
SMILESC#CCNCC(=O)Nc1ccc(OCCC)c(Cl)c1
InChIInChI=1S/C14H17ClN2O2/c1-3-7-16-10-14(18)17-11-5-6-13(12(15)9-11)19-8-4-2/h1,5-6,9,16H,4,7-8,10H2,2H3,(H,17,18)
InChIKeyUMYNYDPITPSKSY-UHFFFAOYSA-N
MW280.75 g/mol
LogP2.29
Rot. Bonds7

About N-(3-chloro-4-propoxyphenyl)-2-(prop-2-ynylamino)acetamide

N-(3-chloro-4-propoxyphenyl)-2-(prop-2-ynylamino)acetamide (PubChem CID 79286490) has the molecular formula C14H17ClN2O2 and a molecular weight of 280.75 g/mol. Its IUPAC name is N-(3-chloro-4-propoxyphenyl)-2-(prop-2-ynylamino)acetamide.

Molecular Properties

Compound NameN-(3-chloro-4-propoxyphenyl)-2-(prop-2-ynylamino)acetamide
PubChem CID79286490
Molecular FormulaC14H17ClN2O2
Molecular Weight280.75 g/mol
Exact Mass280.10
IUPAC NameN-(3-chloro-4-propoxyphenyl)-2-(prop-2-ynylamino)acetamide
SMILESC#CCNCC(=O)Nc1ccc(OCCC)c(Cl)c1
InChIInChI=1S/C14H17ClN2O2/c1-3-7-16-10-14(18)17-11-5-6-13(12(15)9-11)19-8-4-2/h1,5-6,9,16H,4,7-8,10H2,2H3,(H,17,18)
InChIKeyUMYNYDPITPSKSY-UHFFFAOYSA-N
XLogP2.29
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.75
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

N-(3-chloro-4-propoxyphenyl)-2-(2-methoxyethylamino)acetamide
CID 79281917
3-amino-N-(3-chloro-4-propoxyphenyl)butanamide
CID 54862798
N-(2-propoxyphenyl)-2-(prop-2-ynylamino)acetamide
CID 112722694
N-[4-chloro-3-[[2-(prop-2-ynylamino)acetyl]amino]phenyl]propanamide
CID 79287636
sodium 1-[2-(3-chloro-4-propoxyanilino)-2-oxoethyl]cyclobutane-1-carboxylate
CID 167850228
2-amino-N-(3-chloro-4-propoxyphenyl)-2-methylpropanamide
CID 61266597
N-(3-chloro-4-propoxyphenyl)benzamide
CID 47311781
N-[3-chloro-4-(methanesulfonamido)phenyl]-2-(prop-2-ynylamino)acetamide
CID 79287467
2-bromo-N-(3-chloro-4-propoxyphenyl)butanamide
CID 62854145
3-amino-N-(3-chloro-4-propoxyphenyl)-2,2-dimethylpropanamide
CID 81489388
4-(3-chloro-4-propoxyanilino)-2,3-dimethyl-4-oxobutanoic acid
CID 103496736
N-(3-chloro-4-propoxyphenyl)-1-propoxycyclopentane-1-carboxamide
CID 100712883

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-propoxyphenyl)-2-(prop-2-ynylamino)acetamide?
The IUPAC name of N-(3-chloro-4-propoxyphenyl)-2-(prop-2-ynylamino)acetamide (CID 79286490) is N-(3-chloro-4-propoxyphenyl)-2-(prop-2-ynylamino)acetamide.
What is the SMILES notation for N-(3-chloro-4-propoxyphenyl)-2-(prop-2-ynylamino)acetamide?
The canonical SMILES for N-(3-chloro-4-propoxyphenyl)-2-(prop-2-ynylamino)acetamide is C#CCNCC(=O)Nc1ccc(OCCC)c(Cl)c1.
What is the InChIKey of N-(3-chloro-4-propoxyphenyl)-2-(prop-2-ynylamino)acetamide?
The InChIKey is UMYNYDPITPSKSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN2O2/c1-3-7-16-10-14(18)17-11-5-6-13(12(15)9-11)19-8-4-2/h1,5-6,9,16H,4,7-8,10H2,2H3,(H,17,18).
What are the key properties of N-(3-chloro-4-propoxyphenyl)-2-(prop-2-ynylamino)acetamide?
N-(3-chloro-4-propoxyphenyl)-2-(prop-2-ynylamino)acetamide has a molecular weight of 280.75 g/mol, XLogP of 2.29, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-propoxyphenyl)-2-(prop-2-ynylamino)acetamide is sourced from PubChem (CID 79286490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).