N-(3-amino-3-oxopropyl)-4-(4-hydroxybut-1-ynyl)benzamide

C14H16N2O3 — CID 60815623

IUPACN-(3-amino-3-oxopropyl)-4-(4-hydroxybut-1-ynyl)benzamide
SMILESNC(=O)CCNC(=O)c1ccc(C#CCCO)cc1
InChIInChI=1S/C14H16N2O3/c15-13(18)8-9-16-14(19)12-6-4-11(5-7-12)3-1-2-10-17/h4-7,17H,2,8-10H2,(H2,15,18)(H,16,19)
InChIKeyQDDDPTTZDUYROX-UHFFFAOYSA-N
MW260.29 g/mol
LogP0.03
Rot. Bonds5

About N-(3-amino-3-oxopropyl)-4-(4-hydroxybut-1-ynyl)benzamide

N-(3-amino-3-oxopropyl)-4-(4-hydroxybut-1-ynyl)benzamide (PubChem CID 60815623) has the molecular formula C14H16N2O3 and a molecular weight of 260.29 g/mol. Its IUPAC name is N-(3-amino-3-oxopropyl)-4-(4-hydroxybut-1-ynyl)benzamide.

Molecular Properties

Compound NameN-(3-amino-3-oxopropyl)-4-(4-hydroxybut-1-ynyl)benzamide
PubChem CID60815623
Molecular FormulaC14H16N2O3
Molecular Weight260.29 g/mol
Exact Mass260.12
IUPAC NameN-(3-amino-3-oxopropyl)-4-(4-hydroxybut-1-ynyl)benzamide
SMILESNC(=O)CCNC(=O)c1ccc(C#CCCO)cc1
InChIInChI=1S/C14H16N2O3/c15-13(18)8-9-16-14(19)12-6-4-11(5-7-12)3-1-2-10-17/h4-7,17H,2,8-10H2,(H2,15,18)(H,16,19)
InChIKeyQDDDPTTZDUYROX-UHFFFAOYSA-N
XLogP0.03
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.29
LogP ≤ 50.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(3-amino-3-oxopropyl)-4-(2-phenylethynyl)benzamide
CID 171539123
N-(3-amino-3-oxopropyl)-2-fluoro-4-(4-hydroxybut-1-ynyl)benzamide
CID 60821595
4-(4-hydroxybut-1-ynyl)-N-(3,3,3-trifluoropropyl)benzamide
CID 63228058
4-(4-hydroxybut-1-ynyl)-N-(2,2,2-trifluoroethyl)benzamide
CID 54922298
ethyl 2-[[4-(4-hydroxybut-1-ynyl)benzoyl]amino]acetate
CID 60816874
4-[(3-amino-3-oxopropyl)carbamoyl]benzoic acid
CID 43553914
N-(4-amino-4-oxobutyl)-3-chloro-4-(4-hydroxybut-1-ynyl)benzamide
CID 81290384
4-(4-hydroxybut-1-ynyl)-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]benzamide
CID 106406745
N-cyclobutyl-4-(4-hydroxybut-1-ynyl)benzamide
CID 62414049
4-(4-hydroxybut-1-ynyl)-N-(2,2,3,3-tetrafluoropropyl)benzamide
CID 106295342
4-hydroxy-N-[4-(4-hydroxybut-1-ynyl)phenyl]benzamide
CID 60803521
N-(5-amino-5-oxopentyl)-5-(4-hydroxybut-1-ynyl)thiophene-3-carboxamide
CID 106240594

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-3-oxopropyl)-4-(4-hydroxybut-1-ynyl)benzamide?
The IUPAC name of N-(3-amino-3-oxopropyl)-4-(4-hydroxybut-1-ynyl)benzamide (CID 60815623) is N-(3-amino-3-oxopropyl)-4-(4-hydroxybut-1-ynyl)benzamide.
What is the SMILES notation for N-(3-amino-3-oxopropyl)-4-(4-hydroxybut-1-ynyl)benzamide?
The canonical SMILES for N-(3-amino-3-oxopropyl)-4-(4-hydroxybut-1-ynyl)benzamide is NC(=O)CCNC(=O)c1ccc(C#CCCO)cc1.
What is the InChIKey of N-(3-amino-3-oxopropyl)-4-(4-hydroxybut-1-ynyl)benzamide?
The InChIKey is QDDDPTTZDUYROX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O3/c15-13(18)8-9-16-14(19)12-6-4-11(5-7-12)3-1-2-10-17/h4-7,17H,2,8-10H2,(H2,15,18)(H,16,19).
What are the key properties of N-(3-amino-3-oxopropyl)-4-(4-hydroxybut-1-ynyl)benzamide?
N-(3-amino-3-oxopropyl)-4-(4-hydroxybut-1-ynyl)benzamide has a molecular weight of 260.29 g/mol, XLogP of 0.03, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-3-oxopropyl)-4-(4-hydroxybut-1-ynyl)benzamide is sourced from PubChem (CID 60815623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).