N-[3-amino-4-(diethylamino)phenyl]-4-propan-2-yloxybenzamide

C20H27N3O2 — CID 91676475

IUPACN-[3-amino-4-(diethylamino)phenyl]-4-propan-2-yloxybenzamide
SMILESCCN(CC)c1ccc(NC(=O)c2ccc(OC(C)C)cc2)cc1N
InChIInChI=1S/C20H27N3O2/c1-5-23(6-2)19-12-9-16(13-18(19)21)22-20(24)15-7-10-17(11-8-15)25-14(3)4/h7-14H,5-6,21H2,1-4H3,(H,22,24)
InChIKeyOVXQDCPPFQDODA-UHFFFAOYSA-N
MW341.46 g/mol
LogP4.15
Rot. Bonds7

About N-[3-amino-4-(diethylamino)phenyl]-4-propan-2-yloxybenzamide

N-[3-amino-4-(diethylamino)phenyl]-4-propan-2-yloxybenzamide (PubChem CID 91676475) has the molecular formula C20H27N3O2 and a molecular weight of 341.46 g/mol. Its IUPAC name is N-[3-amino-4-(diethylamino)phenyl]-4-propan-2-yloxybenzamide.

Molecular Properties

Compound NameN-[3-amino-4-(diethylamino)phenyl]-4-propan-2-yloxybenzamide
PubChem CID91676475
Molecular FormulaC20H27N3O2
Molecular Weight341.46 g/mol
Exact Mass341.21
IUPAC NameN-[3-amino-4-(diethylamino)phenyl]-4-propan-2-yloxybenzamide
SMILESCCN(CC)c1ccc(NC(=O)c2ccc(OC(C)C)cc2)cc1N
InChIInChI=1S/C20H27N3O2/c1-5-23(6-2)19-12-9-16(13-18(19)21)22-20(24)15-7-10-17(11-8-15)25-14(3)4/h7-14H,5-6,21H2,1-4H3,(H,22,24)
InChIKeyOVXQDCPPFQDODA-UHFFFAOYSA-N
XLogP4.15
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.46
LogP ≤ 54.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[3-amino-4-(diethylamino)phenyl]-4-chlorobenzamide
CID 91676407
N-[3-amino-4-(diethylamino)phenyl]-3-methoxybenzamide
CID 91676464
4-amino-N-(4-propan-2-yloxyphenyl)benzamide
CID 28722589
4-N,4-N-diethyl-1-N-(4-propan-2-yloxyphenyl)benzene-1,4-dicarboxamide
CID 109048416
4-propan-2-yloxy-N-(3-propan-2-yloxyphenyl)benzamide
CID 17154760
N-naphthalen-2-yl-4-propan-2-yloxybenzamide
CID 823400
N-[3-amino-4-(diethylamino)phenyl]furan-2-carboxamide
CID 91676108
4-(methylamino)-N-(4-propan-2-yloxyphenyl)benzamide
CID 62166478
N-(3-amino-4-bromophenyl)-3-propan-2-yloxybenzamide
CID 79753661
3-amino-4-methoxy-N-(4-propan-2-yloxyphenyl)benzamide
CID 39423304
N-(3-fluoro-4-methylphenyl)-4-propan-2-yloxybenzamide
CID 7778576
N-[4-(2-ethoxyethoxy)phenyl]-4-propan-2-yloxybenzamide
CID 17130636

Frequently Asked Questions

What is the IUPAC name of N-[3-amino-4-(diethylamino)phenyl]-4-propan-2-yloxybenzamide?
The IUPAC name of N-[3-amino-4-(diethylamino)phenyl]-4-propan-2-yloxybenzamide (CID 91676475) is N-[3-amino-4-(diethylamino)phenyl]-4-propan-2-yloxybenzamide.
What is the SMILES notation for N-[3-amino-4-(diethylamino)phenyl]-4-propan-2-yloxybenzamide?
The canonical SMILES for N-[3-amino-4-(diethylamino)phenyl]-4-propan-2-yloxybenzamide is CCN(CC)c1ccc(NC(=O)c2ccc(OC(C)C)cc2)cc1N.
What is the InChIKey of N-[3-amino-4-(diethylamino)phenyl]-4-propan-2-yloxybenzamide?
The InChIKey is OVXQDCPPFQDODA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O2/c1-5-23(6-2)19-12-9-16(13-18(19)21)22-20(24)15-7-10-17(11-8-15)25-14(3)4/h7-14H,5-6,21H2,1-4H3,(H,22,24).
What are the key properties of N-[3-amino-4-(diethylamino)phenyl]-4-propan-2-yloxybenzamide?
N-[3-amino-4-(diethylamino)phenyl]-4-propan-2-yloxybenzamide has a molecular weight of 341.46 g/mol, XLogP of 4.15, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-amino-4-(diethylamino)phenyl]-4-propan-2-yloxybenzamide is sourced from PubChem (CID 91676475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).