N-[4-(3,4,4a,5-tetrahydro-2H-quinoline-1-carbonyl)phenyl]-2-(tert-butylamino)acetamide

C22H29N3O2 — CID 70061457

IUPACN-[4-(3,4,4a,5-tetrahydro-2H-quinoline-1-carbonyl)phenyl]-2-(tert-butylamino)acetamide
SMILESCC(C)(C)NCC(=O)Nc1ccc(C(=O)N2CCCC3CC=CC=C32)cc1
InChIInChI=1S/C22H29N3O2/c1-22(2,3)23-15-20(26)24-18-12-10-17(11-13-18)21(27)25-14-6-8-16-7-4-5-9-19(16)25/h4-5,9-13,16,23H,6-8,14-15H2,1-3H3,(H,24,26)
InChIKeyLCRXNLYVIGJFHA-UHFFFAOYSA-N
MW367.49 g/mol
LogP3.71
Rot. Bonds4

About N-[4-(3,4,4a,5-tetrahydro-2H-quinoline-1-carbonyl)phenyl]-2-(tert-butylamino)acetamide

N-[4-(3,4,4a,5-tetrahydro-2H-quinoline-1-carbonyl)phenyl]-2-(tert-butylamino)acetamide (PubChem CID 70061457) has the molecular formula C22H29N3O2 and a molecular weight of 367.49 g/mol. Its IUPAC name is N-[4-(3,4,4a,5-tetrahydro-2H-quinoline-1-carbonyl)phenyl]-2-(tert-butylamino)acetamide.

Molecular Properties

Compound NameN-[4-(3,4,4a,5-tetrahydro-2H-quinoline-1-carbonyl)phenyl]-2-(tert-butylamino)acetamide
PubChem CID70061457
Molecular FormulaC22H29N3O2
Molecular Weight367.49 g/mol
Exact Mass367.23
IUPAC NameN-[4-(3,4,4a,5-tetrahydro-2H-quinoline-1-carbonyl)phenyl]-2-(tert-butylamino)acetamide
SMILESCC(C)(C)NCC(=O)Nc1ccc(C(=O)N2CCCC3CC=CC=C32)cc1
InChIInChI=1S/C22H29N3O2/c1-22(2,3)23-15-20(26)24-18-12-10-17(11-13-18)21(27)25-14-6-8-16-7-4-5-9-19(16)25/h4-5,9-13,16,23H,6-8,14-15H2,1-3H3,(H,24,26)
InChIKeyLCRXNLYVIGJFHA-UHFFFAOYSA-N
XLogP3.71
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.49
LogP ≤ 53.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 3,4,4a,5-tetrahydro-2H-quinoline-1-carboxylate
CID 140970250
2-(tert-butylamino)-N-[4-(oxolan-2-ylmethoxy)phenyl]acetamide
CID 54813717
2-(tert-butylamino)-N-(4-methoxyphenyl)acetamide
CID 27149891
2-(tert-butylamino)-N-[4-[(2-methoxyacetyl)amino]phenyl]acetamide
CID 47842254
2-(3,4,4a,5-tetrahydro-2H-quinolin-1-ylmethylidene)propanedioic acid
CID 67900144
3-[[2-(tert-butylamino)acetyl]amino]-N-cyclopropylbenzamide
CID 17415806
2-(3,5-dimethylanilino)-N-[4-(4-methylpiperidine-1-carbonyl)phenyl]acetamide
CID 54813209
2-(4-bromoanilino)-N-[4-(4-methylpiperidine-1-carbonyl)phenyl]acetamide
CID 54811108
N-(4-ethoxyphenyl)-2-[4-(4-methylpiperidine-1-carbonyl)anilino]acetamide
CID 54831051
N-(4-propan-2-yloxyphenyl)-2-[4-(pyrrolidine-1-carbonyl)anilino]acetamide
CID 54834060
N-[4-(4-methylpiperidine-1-carbonyl)phenyl]-2-[3-(pyrrolidine-1-carbonyl)anilino]acetamide
CID 54841292
2-(4-methylanilino)-N-[4-(2,3,4,5-tetrahydro-1-benzazepine-1-carbonyl)phenyl]acetamide
CID 19608007

Frequently Asked Questions

What is the IUPAC name of N-[4-(3,4,4a,5-tetrahydro-2H-quinoline-1-carbonyl)phenyl]-2-(tert-butylamino)acetamide?
The IUPAC name of N-[4-(3,4,4a,5-tetrahydro-2H-quinoline-1-carbonyl)phenyl]-2-(tert-butylamino)acetamide (CID 70061457) is N-[4-(3,4,4a,5-tetrahydro-2H-quinoline-1-carbonyl)phenyl]-2-(tert-butylamino)acetamide.
What is the SMILES notation for N-[4-(3,4,4a,5-tetrahydro-2H-quinoline-1-carbonyl)phenyl]-2-(tert-butylamino)acetamide?
The canonical SMILES for N-[4-(3,4,4a,5-tetrahydro-2H-quinoline-1-carbonyl)phenyl]-2-(tert-butylamino)acetamide is CC(C)(C)NCC(=O)Nc1ccc(C(=O)N2CCCC3CC=CC=C32)cc1.
What is the InChIKey of N-[4-(3,4,4a,5-tetrahydro-2H-quinoline-1-carbonyl)phenyl]-2-(tert-butylamino)acetamide?
The InChIKey is LCRXNLYVIGJFHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O2/c1-22(2,3)23-15-20(26)24-18-12-10-17(11-13-18)21(27)25-14-6-8-16-7-4-5-9-19(16)25/h4-5,9-13,16,23H,6-8,14-15H2,1-3H3,(H,24,26).
What are the key properties of N-[4-(3,4,4a,5-tetrahydro-2H-quinoline-1-carbonyl)phenyl]-2-(tert-butylamino)acetamide?
N-[4-(3,4,4a,5-tetrahydro-2H-quinoline-1-carbonyl)phenyl]-2-(tert-butylamino)acetamide has a molecular weight of 367.49 g/mol, XLogP of 3.71, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3,4,4a,5-tetrahydro-2H-quinoline-1-carbonyl)phenyl]-2-(tert-butylamino)acetamide is sourced from PubChem (CID 70061457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).