3-amino-N-[3-(3-methylbutoxy)phenyl]propanamide

C14H22N2O2 — CID 39353480

IUPAC3-amino-N-[3-(3-methylbutoxy)phenyl]propanamide
SMILESCC(C)CCOc1cccc(NC(=O)CCN)c1
InChIInChI=1S/C14H22N2O2/c1-11(2)7-9-18-13-5-3-4-12(10-13)16-14(17)6-8-15/h3-5,10-11H,6-9,15H2,1-2H3,(H,16,17)
InChIKeyQUIHHCBDAFGRMP-UHFFFAOYSA-N
MW250.34 g/mol
LogP2.40
Rot. Bonds7

About 3-amino-N-[3-(3-methylbutoxy)phenyl]propanamide

3-amino-N-[3-(3-methylbutoxy)phenyl]propanamide (PubChem CID 39353480) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is 3-amino-N-[3-(3-methylbutoxy)phenyl]propanamide.

Molecular Properties

Compound Name3-amino-N-[3-(3-methylbutoxy)phenyl]propanamide
PubChem CID39353480
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC Name3-amino-N-[3-(3-methylbutoxy)phenyl]propanamide
SMILESCC(C)CCOc1cccc(NC(=O)CCN)c1
InChIInChI=1S/C14H22N2O2/c1-11(2)7-9-18-13-5-3-4-12(10-13)16-14(17)6-8-15/h3-5,10-11H,6-9,15H2,1-2H3,(H,16,17)
InChIKeyQUIHHCBDAFGRMP-UHFFFAOYSA-N
XLogP2.40
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-(3-methylbutoxy)phenyl]-3-phenylpropanamide
CID 17097232
3-(4-aminophenyl)-N-[3-(3-methylbutoxy)phenyl]propanamide
CID 54795379
2-chloro-N-[3-(3-methylbutoxy)phenyl]propanamide
CID 112501859
N-(3-butoxyphenyl)-2-[3-(3-methylbutoxy)anilino]acetamide
CID 54824740
N-[3-[[2-[3-(3-methylbutoxy)anilino]-2-oxoethyl]amino]phenyl]-3-phenylpropanamide
CID 54837285
3-amino-N-(3-butan-2-yloxyphenyl)propanamide
CID 62327879
2-[bis(prop-2-enyl)amino]-N-[3-(3-methylbutoxy)phenyl]acetamide
CID 54818020
N-[3-(3-methylbutoxy)phenyl]-2-[2-(2-phenoxyethoxy)anilino]acetamide
CID 54827183
2-(2-chloroanilino)-N-[3-(3-methylbutoxy)phenyl]acetamide
CID 54810371
2-(3,4-dichloroanilino)-N-[3-(3-methylbutoxy)phenyl]acetamide
CID 54811762
N-ethyl-4-[[2-[3-(3-methylbutoxy)anilino]-2-oxoethyl]amino]benzamide
CID 54839290
3-(3-methylbutoxy)-N-(3-propoxyphenyl)benzamide
CID 17096779

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[3-(3-methylbutoxy)phenyl]propanamide?
The IUPAC name of 3-amino-N-[3-(3-methylbutoxy)phenyl]propanamide (CID 39353480) is 3-amino-N-[3-(3-methylbutoxy)phenyl]propanamide.
What is the SMILES notation for 3-amino-N-[3-(3-methylbutoxy)phenyl]propanamide?
The canonical SMILES for 3-amino-N-[3-(3-methylbutoxy)phenyl]propanamide is CC(C)CCOc1cccc(NC(=O)CCN)c1.
What is the InChIKey of 3-amino-N-[3-(3-methylbutoxy)phenyl]propanamide?
The InChIKey is QUIHHCBDAFGRMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-11(2)7-9-18-13-5-3-4-12(10-13)16-14(17)6-8-15/h3-5,10-11H,6-9,15H2,1-2H3,(H,16,17).
What are the key properties of 3-amino-N-[3-(3-methylbutoxy)phenyl]propanamide?
3-amino-N-[3-(3-methylbutoxy)phenyl]propanamide has a molecular weight of 250.34 g/mol, XLogP of 2.40, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[3-(3-methylbutoxy)phenyl]propanamide is sourced from PubChem (CID 39353480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).