4-amino-3-(1-cyclopropylbutan-2-ylamino)-N,N-dimethylbenzamide

C16H25N3O — CID 63994246

IUPAC4-amino-3-(1-cyclopropylbutan-2-ylamino)-N,N-dimethylbenzamide
SMILESCCC(CC1CC1)Nc1cc(C(=O)N(C)C)ccc1N
InChIInChI=1S/C16H25N3O/c1-4-13(9-11-5-6-11)18-15-10-12(7-8-14(15)17)16(20)19(2)3/h7-8,10-11,13,18H,4-6,9,17H2,1-3H3
InChIKeyUPXSMRYFWSYCBA-UHFFFAOYSA-N
MW275.40 g/mol
LogP2.96
Rot. Bonds6

About 4-amino-3-(1-cyclopropylbutan-2-ylamino)-N,N-dimethylbenzamide

4-amino-3-(1-cyclopropylbutan-2-ylamino)-N,N-dimethylbenzamide (PubChem CID 63994246) has the molecular formula C16H25N3O and a molecular weight of 275.40 g/mol. Its IUPAC name is 4-amino-3-(1-cyclopropylbutan-2-ylamino)-N,N-dimethylbenzamide.

Molecular Properties

Compound Name4-amino-3-(1-cyclopropylbutan-2-ylamino)-N,N-dimethylbenzamide
PubChem CID63994246
Molecular FormulaC16H25N3O
Molecular Weight275.40 g/mol
Exact Mass275.20
IUPAC Name4-amino-3-(1-cyclopropylbutan-2-ylamino)-N,N-dimethylbenzamide
SMILESCCC(CC1CC1)Nc1cc(C(=O)N(C)C)ccc1N
InChIInChI=1S/C16H25N3O/c1-4-13(9-11-5-6-11)18-15-10-12(7-8-14(15)17)16(20)19(2)3/h7-8,10-11,13,18H,4-6,9,17H2,1-3H3
InChIKeyUPXSMRYFWSYCBA-UHFFFAOYSA-N
XLogP2.96
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.40
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

ethyl 4-amino-3-(1-cyclopropylbutan-2-ylamino)benzoate
CID 82795801
4-amino-3-(butan-2-ylamino)-N,N-dimethylbenzamide
CID 63361212
4-amino-3-[[1-(ethylamino)-1-oxopropan-2-yl]amino]-N,N-dimethylbenzamide
CID 63360672
4-amino-N,N-dimethyl-3-[(3-methylcyclopentyl)methylamino]benzamide
CID 107411309
4-amino-3-[1-(diethylamino)propan-2-ylamino]-N,N-dimethylbenzamide
CID 63358713
4-chloro-N,N-dimethyl-3-(pentan-3-ylamino)benzamide
CID 43738776
2-amino-5-(1-cyclopropylbutan-2-ylamino)benzoic acid
CID 63994008
4-amino-3-(3-cyclopentylpropylamino)-N,N-dimethylbenzamide
CID 106007203
methyl 2-[2-amino-5-(dimethylcarbamoyl)anilino]-3-methylbutanoate
CID 63358400
3-amino-N,N-dimethyl-4-(octan-4-ylamino)benzamide
CID 106022696
4-amino-3-[[2-(cyclopropylamino)-2-oxoethyl]amino]-N,N-dimethylbenzamide
CID 63360878
4-amino-N,N-dimethyl-3-(oxan-4-ylamino)benzamide
CID 63360793

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-(1-cyclopropylbutan-2-ylamino)-N,N-dimethylbenzamide?
The IUPAC name of 4-amino-3-(1-cyclopropylbutan-2-ylamino)-N,N-dimethylbenzamide (CID 63994246) is 4-amino-3-(1-cyclopropylbutan-2-ylamino)-N,N-dimethylbenzamide.
What is the SMILES notation for 4-amino-3-(1-cyclopropylbutan-2-ylamino)-N,N-dimethylbenzamide?
The canonical SMILES for 4-amino-3-(1-cyclopropylbutan-2-ylamino)-N,N-dimethylbenzamide is CCC(CC1CC1)Nc1cc(C(=O)N(C)C)ccc1N.
What is the InChIKey of 4-amino-3-(1-cyclopropylbutan-2-ylamino)-N,N-dimethylbenzamide?
The InChIKey is UPXSMRYFWSYCBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O/c1-4-13(9-11-5-6-11)18-15-10-12(7-8-14(15)17)16(20)19(2)3/h7-8,10-11,13,18H,4-6,9,17H2,1-3H3.
What are the key properties of 4-amino-3-(1-cyclopropylbutan-2-ylamino)-N,N-dimethylbenzamide?
4-amino-3-(1-cyclopropylbutan-2-ylamino)-N,N-dimethylbenzamide has a molecular weight of 275.40 g/mol, XLogP of 2.96, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-(1-cyclopropylbutan-2-ylamino)-N,N-dimethylbenzamide is sourced from PubChem (CID 63994246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).