N-[4-(dipropylamino)phenyl]-2-methylpropanamide

C16H26N2O — CID 112985613

IUPACN-[4-(dipropylamino)phenyl]-2-methylpropanamide
SMILESCCCN(CCC)c1ccc(NC(=O)C(C)C)cc1
InChIInChI=1S/C16H26N2O/c1-5-11-18(12-6-2)15-9-7-14(8-10-15)17-16(19)13(3)4/h7-10,13H,5-6,11-12H2,1-4H3,(H,17,19)
InChIKeyLYZOLRZSIPUMCV-UHFFFAOYSA-N
MW262.40 g/mol
LogP3.91
Rot. Bonds7

About N-[4-(dipropylamino)phenyl]-2-methylpropanamide

N-[4-(dipropylamino)phenyl]-2-methylpropanamide (PubChem CID 112985613) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is N-[4-(dipropylamino)phenyl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[4-(dipropylamino)phenyl]-2-methylpropanamide
PubChem CID112985613
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC NameN-[4-(dipropylamino)phenyl]-2-methylpropanamide
SMILESCCCN(CCC)c1ccc(NC(=O)C(C)C)cc1
InChIInChI=1S/C16H26N2O/c1-5-11-18(12-6-2)15-9-7-14(8-10-15)17-16(19)13(3)4/h7-10,13H,5-6,11-12H2,1-4H3,(H,17,19)
InChIKeyLYZOLRZSIPUMCV-UHFFFAOYSA-N
XLogP3.91
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

1-[4-(dipropylamino)phenyl]-3-propan-2-ylurea
CID 112985654
2-methyl-N-(4-propylphenyl)propanamide
CID 58658667
N-[4-(dimethylamino)phenyl]-2-methylpropanamide;1,1,1,4,4,4-hexafluorobutane-2,3-dione
CID 157344760
1-N,1-N,4-N,4-N-tetrapropylbenzene-1,4-diamine
CID 70004923
N-[4-(butan-2-ylamino)phenyl]-2-methylpropanamide
CID 43683753
(2S)-2-[4-[ethyl(propyl)amino]anilino]propanoic acid
CID 70186094
2-methyl-N-[4-[[2-(propan-2-ylamino)acetyl]amino]phenyl]propanamide
CID 54818036
N-[4-(2-chloropropanoylamino)phenyl]-2-methylpropanamide
CID 43346560
3-chloro-2-methyl-N-[4-(2-methylpropanoylamino)phenyl]propanamide
CID 55111079
2-(aminomethyl)-N-[4-(2-methylpropanoylamino)phenyl]butanamide
CID 65225572
2-methyl-N-[4-(3-methylpentan-2-ylamino)phenyl]propanamide
CID 43683718
2-butylsulfanyl-N-[4-(dimethylamino)phenyl]propanamide
CID 78762031

Frequently Asked Questions

What is the IUPAC name of N-[4-(dipropylamino)phenyl]-2-methylpropanamide?
The IUPAC name of N-[4-(dipropylamino)phenyl]-2-methylpropanamide (CID 112985613) is N-[4-(dipropylamino)phenyl]-2-methylpropanamide.
What is the SMILES notation for N-[4-(dipropylamino)phenyl]-2-methylpropanamide?
The canonical SMILES for N-[4-(dipropylamino)phenyl]-2-methylpropanamide is CCCN(CCC)c1ccc(NC(=O)C(C)C)cc1.
What is the InChIKey of N-[4-(dipropylamino)phenyl]-2-methylpropanamide?
The InChIKey is LYZOLRZSIPUMCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O/c1-5-11-18(12-6-2)15-9-7-14(8-10-15)17-16(19)13(3)4/h7-10,13H,5-6,11-12H2,1-4H3,(H,17,19).
What are the key properties of N-[4-(dipropylamino)phenyl]-2-methylpropanamide?
N-[4-(dipropylamino)phenyl]-2-methylpropanamide has a molecular weight of 262.40 g/mol, XLogP of 3.91, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(dipropylamino)phenyl]-2-methylpropanamide is sourced from PubChem (CID 112985613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).