N-[2-(tert-butylamino)-2-oxoethyl]-3-chloro-5-methoxy-4-(2-methylpropoxy)benzamide

C18H27ClN2O4 — CID 41276636

IUPACN-[2-(tert-butylamino)-2-oxoethyl]-3-chloro-5-methoxy-4-(2-methylpropoxy)benzamide
SMILESCOc1cc(C(=O)NCC(=O)NC(C)(C)C)cc(Cl)c1OCC(C)C
InChIInChI=1S/C18H27ClN2O4/c1-11(2)10-25-16-13(19)7-12(8-14(16)24-6)17(23)20-9-15(22)21-18(3,4)5/h7-8,11H,9-10H2,1-6H3,(H,20,23)(H,21,22)
InChIKeyRDUKUFKUVUVNDC-UHFFFAOYSA-N
MW370.88 g/mol
LogP3.03
Rot. Bonds7

About N-[2-(tert-butylamino)-2-oxoethyl]-3-chloro-5-methoxy-4-(2-methylpropoxy)benzamide

N-[2-(tert-butylamino)-2-oxoethyl]-3-chloro-5-methoxy-4-(2-methylpropoxy)benzamide (PubChem CID 41276636) has the molecular formula C18H27ClN2O4 and a molecular weight of 370.88 g/mol. Its IUPAC name is N-[2-(tert-butylamino)-2-oxoethyl]-3-chloro-5-methoxy-4-(2-methylpropoxy)benzamide.

Molecular Properties

Compound NameN-[2-(tert-butylamino)-2-oxoethyl]-3-chloro-5-methoxy-4-(2-methylpropoxy)benzamide
PubChem CID41276636
Molecular FormulaC18H27ClN2O4
Molecular Weight370.88 g/mol
Exact Mass370.17
IUPAC NameN-[2-(tert-butylamino)-2-oxoethyl]-3-chloro-5-methoxy-4-(2-methylpropoxy)benzamide
SMILESCOc1cc(C(=O)NCC(=O)NC(C)(C)C)cc(Cl)c1OCC(C)C
InChIInChI=1S/C18H27ClN2O4/c1-11(2)10-25-16-13(19)7-12(8-14(16)24-6)17(23)20-9-15(22)21-18(3,4)5/h7-8,11H,9-10H2,1-6H3,(H,20,23)(H,21,22)
InChIKeyRDUKUFKUVUVNDC-UHFFFAOYSA-N
XLogP3.03
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.88
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(tert-butylamino)-2-oxoethyl]-3-chloro-4-ethoxy-5-methoxybenzamide
CID 26457001
2-[[3-chloro-5-methoxy-4-(2-methylpropoxy)benzoyl]amino]acetate
CID 7994307
3-chloro-4,5-dimethoxy-N-[2-oxo-2-(propan-2-ylamino)ethyl]benzamide
CID 9301224
3-chloro-N-[(2R)-2-(ethylamino)propyl]-5-methoxy-4-(2-methylpropoxy)benzamide
CID 120653783
5-[[3-chloro-5-methoxy-4-(2-methylpropoxy)benzoyl]amino]pentanoic acid
CID 119234484
3-chloro-N-[2-(cyclopropanecarbonylamino)ethyl]-5-methoxy-4-(2-methylpropoxy)benzamide
CID 51153085
N-tert-butyl-3-chloro-4-ethoxy-5-methoxybenzamide
CID 51149799
4-[2-(tert-butylamino)-2-oxoethoxy]-3-chloro-5-methoxybenzoic acid
CID 28898119
3-chloro-5-methoxy-N-(2-methylphenyl)-4-(2-methylpropoxy)benzamide
CID 2599000
[2-(2-methylbutan-2-ylamino)-2-oxoethyl] 3-chloro-5-methoxy-4-(2-methylpropoxy)benzoate
CID 42373924
tert-butyl 4-[[3-chloro-5-methoxy-4-(2-methylpropoxy)benzoyl]amino]piperidine-1-carboxylate
CID 55987274
3-chloro-N'-(4-fluorobenzoyl)-5-methoxy-4-(2-methylpropoxy)benzohydrazide
CID 55333896

Frequently Asked Questions

What is the IUPAC name of N-[2-(tert-butylamino)-2-oxoethyl]-3-chloro-5-methoxy-4-(2-methylpropoxy)benzamide?
The IUPAC name of N-[2-(tert-butylamino)-2-oxoethyl]-3-chloro-5-methoxy-4-(2-methylpropoxy)benzamide (CID 41276636) is N-[2-(tert-butylamino)-2-oxoethyl]-3-chloro-5-methoxy-4-(2-methylpropoxy)benzamide.
What is the SMILES notation for N-[2-(tert-butylamino)-2-oxoethyl]-3-chloro-5-methoxy-4-(2-methylpropoxy)benzamide?
The canonical SMILES for N-[2-(tert-butylamino)-2-oxoethyl]-3-chloro-5-methoxy-4-(2-methylpropoxy)benzamide is COc1cc(C(=O)NCC(=O)NC(C)(C)C)cc(Cl)c1OCC(C)C.
What is the InChIKey of N-[2-(tert-butylamino)-2-oxoethyl]-3-chloro-5-methoxy-4-(2-methylpropoxy)benzamide?
The InChIKey is RDUKUFKUVUVNDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27ClN2O4/c1-11(2)10-25-16-13(19)7-12(8-14(16)24-6)17(23)20-9-15(22)21-18(3,4)5/h7-8,11H,9-10H2,1-6H3,(H,20,23)(H,21,22).
What are the key properties of N-[2-(tert-butylamino)-2-oxoethyl]-3-chloro-5-methoxy-4-(2-methylpropoxy)benzamide?
N-[2-(tert-butylamino)-2-oxoethyl]-3-chloro-5-methoxy-4-(2-methylpropoxy)benzamide has a molecular weight of 370.88 g/mol, XLogP of 3.03, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(tert-butylamino)-2-oxoethyl]-3-chloro-5-methoxy-4-(2-methylpropoxy)benzamide is sourced from PubChem (CID 41276636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).