4-amino-3-butoxy-N-propan-2-ylbenzamide

C14H22N2O2 — CID 82069845

IUPAC4-amino-3-butoxy-N-propan-2-ylbenzamide
SMILESCCCCOc1cc(C(=O)NC(C)C)ccc1N
InChIInChI=1S/C14H22N2O2/c1-4-5-8-18-13-9-11(6-7-12(13)15)14(17)16-10(2)3/h6-7,9-10H,4-5,8,15H2,1-3H3,(H,16,17)
InChIKeyKPCBZJGCZMSSGM-UHFFFAOYSA-N
MW250.34 g/mol
LogP2.59
Rot. Bonds6

About 4-amino-3-butoxy-N-propan-2-ylbenzamide

4-amino-3-butoxy-N-propan-2-ylbenzamide (PubChem CID 82069845) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is 4-amino-3-butoxy-N-propan-2-ylbenzamide.

Molecular Properties

Compound Name4-amino-3-butoxy-N-propan-2-ylbenzamide
PubChem CID82069845
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC Name4-amino-3-butoxy-N-propan-2-ylbenzamide
SMILESCCCCOc1cc(C(=O)NC(C)C)ccc1N
InChIInChI=1S/C14H22N2O2/c1-4-5-8-18-13-9-11(6-7-12(13)15)14(17)16-10(2)3/h6-7,9-10H,4-5,8,15H2,1-3H3,(H,16,17)
InChIKeyKPCBZJGCZMSSGM-UHFFFAOYSA-N
XLogP2.59
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-amino-3-butoxy-N-methylbenzamide
CID 63357456
4-amino-3-[2-(butylamino)-2-oxoethoxy]-N-propan-2-ylbenzamide
CID 93216573
3,4-dipentoxy-N-propan-2-ylbenzamide
CID 3575779
4-amino-N-ethyl-3-pentoxybenzamide
CID 63358644
4-amino-N-butan-2-yl-3-(3-methylbutoxy)benzamide
CID 82069989
4-amino-3-phenylmethoxy-N-propan-2-ylbenzamide
CID 82069733
methyl 4-amino-3-(2-butoxyethoxy)benzoate
CID 61483522
4-amino-3-propoxy-N-propylbenzamide
CID 82069804
methyl 4-amino-3-octoxybenzoate
CID 15434652
methyl 4-amino-3-nonoxybenzoate
CID 43380216
4-amino-3-(2-butoxyethoxy)benzamide
CID 63356668
4-butoxy-N-(1-hydroxypropan-2-yl)-3-methoxybenzamide
CID 78856853

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-butoxy-N-propan-2-ylbenzamide?
The IUPAC name of 4-amino-3-butoxy-N-propan-2-ylbenzamide (CID 82069845) is 4-amino-3-butoxy-N-propan-2-ylbenzamide.
What is the SMILES notation for 4-amino-3-butoxy-N-propan-2-ylbenzamide?
The canonical SMILES for 4-amino-3-butoxy-N-propan-2-ylbenzamide is CCCCOc1cc(C(=O)NC(C)C)ccc1N.
What is the InChIKey of 4-amino-3-butoxy-N-propan-2-ylbenzamide?
The InChIKey is KPCBZJGCZMSSGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-4-5-8-18-13-9-11(6-7-12(13)15)14(17)16-10(2)3/h6-7,9-10H,4-5,8,15H2,1-3H3,(H,16,17).
What are the key properties of 4-amino-3-butoxy-N-propan-2-ylbenzamide?
4-amino-3-butoxy-N-propan-2-ylbenzamide has a molecular weight of 250.34 g/mol, XLogP of 2.59, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-butoxy-N-propan-2-ylbenzamide is sourced from PubChem (CID 82069845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).