3-amino-N-cyclopropyl-N-(cyclopropylmethyl)-2-hydroxybenzamide

C14H18N2O2 — CID 113386511

IUPAC3-amino-N-cyclopropyl-N-(cyclopropylmethyl)-2-hydroxybenzamide
SMILESNc1cccc(C(=O)N(CC2CC2)C2CC2)c1O
InChIInChI=1S/C14H18N2O2/c15-12-3-1-2-11(13(12)17)14(18)16(10-6-7-10)8-9-4-5-9/h1-3,9-10,17H,4-8,15H2
InChIKeyQXEOKVVYKOHFNS-UHFFFAOYSA-N
MW246.31 g/mol
LogP1.99
Rot. Bonds4

About 3-amino-N-cyclopropyl-N-(cyclopropylmethyl)-2-hydroxybenzamide

3-amino-N-cyclopropyl-N-(cyclopropylmethyl)-2-hydroxybenzamide (PubChem CID 113386511) has the molecular formula C14H18N2O2 and a molecular weight of 246.31 g/mol. Its IUPAC name is 3-amino-N-cyclopropyl-N-(cyclopropylmethyl)-2-hydroxybenzamide.

Molecular Properties

Compound Name3-amino-N-cyclopropyl-N-(cyclopropylmethyl)-2-hydroxybenzamide
PubChem CID113386511
Molecular FormulaC14H18N2O2
Molecular Weight246.31 g/mol
Exact Mass246.14
IUPAC Name3-amino-N-cyclopropyl-N-(cyclopropylmethyl)-2-hydroxybenzamide
SMILESNc1cccc(C(=O)N(CC2CC2)C2CC2)c1O
InChIInChI=1S/C14H18N2O2/c15-12-3-1-2-11(13(12)17)14(18)16(10-6-7-10)8-9-4-5-9/h1-3,9-10,17H,4-8,15H2
InChIKeyQXEOKVVYKOHFNS-UHFFFAOYSA-N
XLogP1.99
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-amino-N-butyl-N-cyclopropyl-2-hydroxybenzamide
CID 113386417
2-amino-4-bromo-N-cyclopropyl-N-(cyclopropylmethyl)benzamide
CID 79723311
N,N-bis(cyclopropylmethyl)-2,3-dihydroxybenzamide
CID 114344418
5-amino-N-cyclopropyl-N-(cyclopropylmethyl)-2,4-dimethylbenzamide
CID 102705640
3-amino-N-cyclohexyl-2-hydroxy-N-methylbenzamide
CID 58736495
N-cyclopropyl-N-(cyclopropylmethyl)-2,5-dihydroxybenzamide
CID 107723158
3-amino-2-hydroxy-N-[(4-hydroxycyclohexyl)methyl]benzamide
CID 106119090
2-amino-N-(cyclohexylmethyl)-N-cyclopropyl-6-methylbenzamide
CID 61108963
3-amino-N,N-bis(cyclopropylmethyl)-2-nitrobenzamide
CID 115549135
3-amino-2-hydroxy-N-methyl-N-(oxan-4-yl)benzamide
CID 113386399
2-[cyclopropyl-(2,3-dihydroxybenzoyl)amino]acetic acid
CID 114343291
3-amino-N-cyclohexyl-2-hydroxy-N-methoxybenzamide
CID 89098947

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-cyclopropyl-N-(cyclopropylmethyl)-2-hydroxybenzamide?
The IUPAC name of 3-amino-N-cyclopropyl-N-(cyclopropylmethyl)-2-hydroxybenzamide (CID 113386511) is 3-amino-N-cyclopropyl-N-(cyclopropylmethyl)-2-hydroxybenzamide.
What is the SMILES notation for 3-amino-N-cyclopropyl-N-(cyclopropylmethyl)-2-hydroxybenzamide?
The canonical SMILES for 3-amino-N-cyclopropyl-N-(cyclopropylmethyl)-2-hydroxybenzamide is Nc1cccc(C(=O)N(CC2CC2)C2CC2)c1O.
What is the InChIKey of 3-amino-N-cyclopropyl-N-(cyclopropylmethyl)-2-hydroxybenzamide?
The InChIKey is QXEOKVVYKOHFNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O2/c15-12-3-1-2-11(13(12)17)14(18)16(10-6-7-10)8-9-4-5-9/h1-3,9-10,17H,4-8,15H2.
What are the key properties of 3-amino-N-cyclopropyl-N-(cyclopropylmethyl)-2-hydroxybenzamide?
3-amino-N-cyclopropyl-N-(cyclopropylmethyl)-2-hydroxybenzamide has a molecular weight of 246.31 g/mol, XLogP of 1.99, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-cyclopropyl-N-(cyclopropylmethyl)-2-hydroxybenzamide is sourced from PubChem (CID 113386511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).