3-amino-4-(4-butylanilino)-N-propan-2-ylbenzamide

C20H27N3O — CID 100635916

IUPAC3-amino-4-(4-butylanilino)-N-propan-2-ylbenzamide
SMILESCCCCc1ccc(Nc2ccc(C(=O)NC(C)C)cc2N)cc1
InChIInChI=1S/C20H27N3O/c1-4-5-6-15-7-10-17(11-8-15)23-19-12-9-16(13-18(19)21)20(24)22-14(2)3/h7-14,23H,4-6,21H2,1-3H3,(H,22,24)
InChIKeyITPIMNSTKBAEGQ-UHFFFAOYSA-N
MW325.46 g/mol
LogP4.49
Rot. Bonds7

About 3-amino-4-(4-butylanilino)-N-propan-2-ylbenzamide

3-amino-4-(4-butylanilino)-N-propan-2-ylbenzamide (PubChem CID 100635916) has the molecular formula C20H27N3O and a molecular weight of 325.46 g/mol. Its IUPAC name is 3-amino-4-(4-butylanilino)-N-propan-2-ylbenzamide.

Molecular Properties

Compound Name3-amino-4-(4-butylanilino)-N-propan-2-ylbenzamide
PubChem CID100635916
Molecular FormulaC20H27N3O
Molecular Weight325.46 g/mol
Exact Mass325.22
IUPAC Name3-amino-4-(4-butylanilino)-N-propan-2-ylbenzamide
SMILESCCCCc1ccc(Nc2ccc(C(=O)NC(C)C)cc2N)cc1
InChIInChI=1S/C20H27N3O/c1-4-5-6-15-7-10-17(11-8-15)23-19-12-9-16(13-18(19)21)20(24)22-14(2)3/h7-14,23H,4-6,21H2,1-3H3,(H,22,24)
InChIKeyITPIMNSTKBAEGQ-UHFFFAOYSA-N
XLogP4.49
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.46
LogP ≤ 54.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-amino-2-(4-butylanilino)-N-propan-2-ylbenzamide
CID 100654208
[3-amino-4-(4-butylanilino)phenyl]-pyrrolidin-1-ylmethanone
CID 100635993
3-amino-N-propan-2-yl-4-(propan-2-ylamino)benzamide
CID 100619240
3-amino-4-(4-ethylanilino)-N-(2-methoxyethyl)benzamide
CID 100625211
3-amino-4-(2,3-dichloroanilino)-N-propan-2-ylbenzamide
CID 100628080
4-amino-3-butoxy-N-propan-2-ylbenzamide
CID 82069845
1-[2-amino-4-(4-butylanilino)phenyl]ethanone
CID 104528379
ethyl 3-amino-4-(4-propan-2-ylanilino)benzoate
CID 100625271
3-amino-4-anilino-N-ethylbenzamide
CID 82999542
(2R)-2-[[4-(4-butylphenyl)benzoyl]amino]propanoic acid
CID 90161880
hexyl (2S)-2-[(4-butylbenzoyl)amino]propanoate
CID 20837226
1-[4-(4-acetyl-2-aminoanilino)phenyl]ethanone
CID 82487575

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-(4-butylanilino)-N-propan-2-ylbenzamide?
The IUPAC name of 3-amino-4-(4-butylanilino)-N-propan-2-ylbenzamide (CID 100635916) is 3-amino-4-(4-butylanilino)-N-propan-2-ylbenzamide.
What is the SMILES notation for 3-amino-4-(4-butylanilino)-N-propan-2-ylbenzamide?
The canonical SMILES for 3-amino-4-(4-butylanilino)-N-propan-2-ylbenzamide is CCCCc1ccc(Nc2ccc(C(=O)NC(C)C)cc2N)cc1.
What is the InChIKey of 3-amino-4-(4-butylanilino)-N-propan-2-ylbenzamide?
The InChIKey is ITPIMNSTKBAEGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O/c1-4-5-6-15-7-10-17(11-8-15)23-19-12-9-16(13-18(19)21)20(24)22-14(2)3/h7-14,23H,4-6,21H2,1-3H3,(H,22,24).
What are the key properties of 3-amino-4-(4-butylanilino)-N-propan-2-ylbenzamide?
3-amino-4-(4-butylanilino)-N-propan-2-ylbenzamide has a molecular weight of 325.46 g/mol, XLogP of 4.49, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-(4-butylanilino)-N-propan-2-ylbenzamide is sourced from PubChem (CID 100635916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).