N-[4-[2-(tert-butylamino)-1-hydroxypropyl]phenyl]propanamide

C16H26N2O2 — CID 82315397

IUPACN-[4-[2-(tert-butylamino)-1-hydroxypropyl]phenyl]propanamide
SMILESCCC(=O)Nc1ccc(C(O)C(C)NC(C)(C)C)cc1
InChIInChI=1S/C16H26N2O2/c1-6-14(19)17-13-9-7-12(8-10-13)15(20)11(2)18-16(3,4)5/h7-11,15,18,20H,6H2,1-5H3,(H,17,19)
InChIKeySNHCGIUJJFNFSQ-UHFFFAOYSA-N
MW278.40 g/mol
LogP2.85
Rot. Bonds5

About N-[4-[2-(tert-butylamino)-1-hydroxypropyl]phenyl]propanamide

N-[4-[2-(tert-butylamino)-1-hydroxypropyl]phenyl]propanamide (PubChem CID 82315397) has the molecular formula C16H26N2O2 and a molecular weight of 278.40 g/mol. Its IUPAC name is N-[4-[2-(tert-butylamino)-1-hydroxypropyl]phenyl]propanamide.

Molecular Properties

Compound NameN-[4-[2-(tert-butylamino)-1-hydroxypropyl]phenyl]propanamide
PubChem CID82315397
Molecular FormulaC16H26N2O2
Molecular Weight278.40 g/mol
Exact Mass278.20
IUPAC NameN-[4-[2-(tert-butylamino)-1-hydroxypropyl]phenyl]propanamide
SMILESCCC(=O)Nc1ccc(C(O)C(C)NC(C)(C)C)cc1
InChIInChI=1S/C16H26N2O2/c1-6-14(19)17-13-9-7-12(8-10-13)15(20)11(2)18-16(3,4)5/h7-11,15,18,20H,6H2,1-5H3,(H,17,19)
InChIKeySNHCGIUJJFNFSQ-UHFFFAOYSA-N
XLogP2.85
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 52.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-[2-(tert-butylamino)-1-hydroxypropyl]phenyl]acetamide
CID 82314635
N-[4-[1-hydroxy-2-(propan-2-ylamino)propyl]phenyl]propanamide
CID 82315401
N-[4-[1-hydroxy-2-(2-methoxyethylamino)propyl]phenyl]propanamide
CID 82315404
N-[4-[1-(methylamino)ethyl]phenyl]propanamide
CID 43507580
N-[4-[1-[(2-chloroacetyl)amino]ethyl]phenyl]propanamide
CID 154832906
N-[4-(propan-2-ylamino)phenyl]propanamide
CID 43720685
N-[4-[1-(4-chlorophenyl)ethylamino]phenyl]propanamide
CID 43720632
N-[4-[[2-oxo-2-(1-phenylethylamino)ethyl]amino]phenyl]propanamide
CID 54835521
N-[4-[2-(cyclopropylamino)-1-hydroxybutyl]phenyl]propanamide
CID 82315413
N-[4-[1-[[2-(4-tert-butylphenoxy)acetyl]amino]ethyl]phenyl]propanamide
CID 55657683
3,3-diphenyl-N-[1-[4-(propanoylamino)phenyl]ethyl]propanamide
CID 46468381
3-hydroxy-N-[4-(1-hydroxyethyl)phenyl]butanamide
CID 110178597

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-(tert-butylamino)-1-hydroxypropyl]phenyl]propanamide?
The IUPAC name of N-[4-[2-(tert-butylamino)-1-hydroxypropyl]phenyl]propanamide (CID 82315397) is N-[4-[2-(tert-butylamino)-1-hydroxypropyl]phenyl]propanamide.
What is the SMILES notation for N-[4-[2-(tert-butylamino)-1-hydroxypropyl]phenyl]propanamide?
The canonical SMILES for N-[4-[2-(tert-butylamino)-1-hydroxypropyl]phenyl]propanamide is CCC(=O)Nc1ccc(C(O)C(C)NC(C)(C)C)cc1.
What is the InChIKey of N-[4-[2-(tert-butylamino)-1-hydroxypropyl]phenyl]propanamide?
The InChIKey is SNHCGIUJJFNFSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2/c1-6-14(19)17-13-9-7-12(8-10-13)15(20)11(2)18-16(3,4)5/h7-11,15,18,20H,6H2,1-5H3,(H,17,19).
What are the key properties of N-[4-[2-(tert-butylamino)-1-hydroxypropyl]phenyl]propanamide?
N-[4-[2-(tert-butylamino)-1-hydroxypropyl]phenyl]propanamide has a molecular weight of 278.40 g/mol, XLogP of 2.85, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-(tert-butylamino)-1-hydroxypropyl]phenyl]propanamide is sourced from PubChem (CID 82315397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).