3-(3-amino-4-morpholin-4-ylphenyl)-N-butan-2-ylpropanamide

C17H27N3O2 — CID 82027749

IUPAC3-(3-amino-4-morpholin-4-ylphenyl)-N-butan-2-ylpropanamide
SMILESCCC(C)NC(=O)CCc1ccc(N2CCOCC2)c(N)c1
InChIInChI=1S/C17H27N3O2/c1-3-13(2)19-17(21)7-5-14-4-6-16(15(18)12-14)20-8-10-22-11-9-20/h4,6,12-13H,3,5,7-11,18H2,1-2H3,(H,19,21)
InChIKeyPYPPNQNCTVQIEE-UHFFFAOYSA-N
MW305.42 g/mol
LogP1.95
Rot. Bonds6

About 3-(3-amino-4-morpholin-4-ylphenyl)-N-butan-2-ylpropanamide

3-(3-amino-4-morpholin-4-ylphenyl)-N-butan-2-ylpropanamide (PubChem CID 82027749) has the molecular formula C17H27N3O2 and a molecular weight of 305.42 g/mol. Its IUPAC name is 3-(3-amino-4-morpholin-4-ylphenyl)-N-butan-2-ylpropanamide.

Molecular Properties

Compound Name3-(3-amino-4-morpholin-4-ylphenyl)-N-butan-2-ylpropanamide
PubChem CID82027749
Molecular FormulaC17H27N3O2
Molecular Weight305.42 g/mol
Exact Mass305.21
IUPAC Name3-(3-amino-4-morpholin-4-ylphenyl)-N-butan-2-ylpropanamide
SMILESCCC(C)NC(=O)CCc1ccc(N2CCOCC2)c(N)c1
InChIInChI=1S/C17H27N3O2/c1-3-13(2)19-17(21)7-5-14-4-6-16(15(18)12-14)20-8-10-22-11-9-20/h4,6,12-13H,3,5,7-11,18H2,1-2H3,(H,19,21)
InChIKeyPYPPNQNCTVQIEE-UHFFFAOYSA-N
XLogP1.95
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.42
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-(3-amino-4-morpholin-4-ylphenyl)-N-pentylpropanamide
CID 39112930
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CID 82027779
3-(3-amino-4-morpholin-4-ylphenyl)-N-tert-butyl-N-ethylpropanamide
CID 82027775
3-(3-amino-4-methoxyphenyl)-N-butan-2-ylpropanamide
CID 112501637
3-(3-amino-4-propan-2-yloxyphenyl)-N-butan-2-ylpropanamide
CID 82152691
5-(2-methylpropyl)-2-morpholin-4-ylaniline
CID 18952283
3-(3-amino-4-pyrrolidin-1-ylphenyl)-N-(3-methylbutyl)propanamide
CID 39112758
5-[(4-ethylphenyl)methyl]-2-morpholin-4-ylaniline
CID 39407103
3-[3-amino-4-(4-methylpiperazin-1-yl)phenyl]-N-cyclopropylpropanamide
CID 39112878
N-(3-amino-4-morpholin-4-ylphenyl)-2-methylpropanamide
CID 28688940
3-(3-amino-4-pyrrolidin-1-ylphenyl)-N,N-bis(2-methylpropyl)propanamide
CID 39131071
N-butan-2-yl-3-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)propanamide
CID 110683389

Frequently Asked Questions

What is the IUPAC name of 3-(3-amino-4-morpholin-4-ylphenyl)-N-butan-2-ylpropanamide?
The IUPAC name of 3-(3-amino-4-morpholin-4-ylphenyl)-N-butan-2-ylpropanamide (CID 82027749) is 3-(3-amino-4-morpholin-4-ylphenyl)-N-butan-2-ylpropanamide.
What is the SMILES notation for 3-(3-amino-4-morpholin-4-ylphenyl)-N-butan-2-ylpropanamide?
The canonical SMILES for 3-(3-amino-4-morpholin-4-ylphenyl)-N-butan-2-ylpropanamide is CCC(C)NC(=O)CCc1ccc(N2CCOCC2)c(N)c1.
What is the InChIKey of 3-(3-amino-4-morpholin-4-ylphenyl)-N-butan-2-ylpropanamide?
The InChIKey is PYPPNQNCTVQIEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O2/c1-3-13(2)19-17(21)7-5-14-4-6-16(15(18)12-14)20-8-10-22-11-9-20/h4,6,12-13H,3,5,7-11,18H2,1-2H3,(H,19,21).
What are the key properties of 3-(3-amino-4-morpholin-4-ylphenyl)-N-butan-2-ylpropanamide?
3-(3-amino-4-morpholin-4-ylphenyl)-N-butan-2-ylpropanamide has a molecular weight of 305.42 g/mol, XLogP of 1.95, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-amino-4-morpholin-4-ylphenyl)-N-butan-2-ylpropanamide is sourced from PubChem (CID 82027749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).