N-(3-aminophenyl)-3-[bis(2-methylpropyl)amino]propanamide

C17H29N3O — CID 43587667

IUPACN-(3-aminophenyl)-3-[bis(2-methylpropyl)amino]propanamide
SMILESCC(C)CN(CCC(=O)Nc1cccc(N)c1)CC(C)C
InChIInChI=1S/C17H29N3O/c1-13(2)11-20(12-14(3)4)9-8-17(21)19-16-7-5-6-15(18)10-16/h5-7,10,13-14H,8-9,11-12,18H2,1-4H3,(H,19,21)
InChIKeyKIRTYWUWWYJSLI-UHFFFAOYSA-N
MW291.44 g/mol
LogP3.21
Rot. Bonds8

About N-(3-aminophenyl)-3-[bis(2-methylpropyl)amino]propanamide

N-(3-aminophenyl)-3-[bis(2-methylpropyl)amino]propanamide (PubChem CID 43587667) has the molecular formula C17H29N3O and a molecular weight of 291.44 g/mol. Its IUPAC name is N-(3-aminophenyl)-3-[bis(2-methylpropyl)amino]propanamide.

Molecular Properties

Compound NameN-(3-aminophenyl)-3-[bis(2-methylpropyl)amino]propanamide
PubChem CID43587667
Molecular FormulaC17H29N3O
Molecular Weight291.44 g/mol
Exact Mass291.23
IUPAC NameN-(3-aminophenyl)-3-[bis(2-methylpropyl)amino]propanamide
SMILESCC(C)CN(CCC(=O)Nc1cccc(N)c1)CC(C)C
InChIInChI=1S/C17H29N3O/c1-13(2)11-20(12-14(3)4)9-8-17(21)19-16-7-5-6-15(18)10-16/h5-7,10,13-14H,8-9,11-12,18H2,1-4H3,(H,19,21)
InChIKeyKIRTYWUWWYJSLI-UHFFFAOYSA-N
XLogP3.21
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.44
LogP ≤ 53.21
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

3-[bis(2-methylpropyl)amino]-N-(3-fluorophenyl)propanamide
CID 60501159
N-(3-aminophenyl)-3-[2-hydroxyethyl(propyl)amino]propanamide
CID 61424662
N-(3-aminophenyl)-3-(N-methylanilino)propanamide
CID 16778596
2-[[3-(3-chloroanilino)-3-oxopropyl]-(2-methylpropyl)amino]acetic acid
CID 63065919
N-(3-aminophenyl)-4-[methyl(3-methylbutan-2-yl)amino]butanamide
CID 43569671
N-[4-(aminomethyl)phenyl]-3-[ethyl(2-methylpropyl)amino]propanamide
CID 43273391
N-(3-aminophenyl)-4-[2-(2-methylpropoxy)ethoxy]butanamide
CID 106446919
N-(3-aminophenyl)-2-[2-cyanopropyl(ethyl)amino]acetamide
CID 54988178
3-[[2-(3-aminoanilino)-2-oxoethyl]-methylamino]propanoic acid
CID 82224717
N-(3-aminophenyl)-3-[(2-hydroxycyclohexyl)-methylamino]propanamide
CID 102631553
N-(3-aminophenyl)-3-[furan-2-ylmethyl(methyl)amino]propanamide
CID 43526610
N-(3-aminophenyl)-2-(dibutylamino)acetamide
CID 28982406

Frequently Asked Questions

What is the IUPAC name of N-(3-aminophenyl)-3-[bis(2-methylpropyl)amino]propanamide?
The IUPAC name of N-(3-aminophenyl)-3-[bis(2-methylpropyl)amino]propanamide (CID 43587667) is N-(3-aminophenyl)-3-[bis(2-methylpropyl)amino]propanamide.
What is the SMILES notation for N-(3-aminophenyl)-3-[bis(2-methylpropyl)amino]propanamide?
The canonical SMILES for N-(3-aminophenyl)-3-[bis(2-methylpropyl)amino]propanamide is CC(C)CN(CCC(=O)Nc1cccc(N)c1)CC(C)C.
What is the InChIKey of N-(3-aminophenyl)-3-[bis(2-methylpropyl)amino]propanamide?
The InChIKey is KIRTYWUWWYJSLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3O/c1-13(2)11-20(12-14(3)4)9-8-17(21)19-16-7-5-6-15(18)10-16/h5-7,10,13-14H,8-9,11-12,18H2,1-4H3,(H,19,21).
What are the key properties of N-(3-aminophenyl)-3-[bis(2-methylpropyl)amino]propanamide?
N-(3-aminophenyl)-3-[bis(2-methylpropyl)amino]propanamide has a molecular weight of 291.44 g/mol, XLogP of 3.21, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminophenyl)-3-[bis(2-methylpropyl)amino]propanamide is sourced from PubChem (CID 43587667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).