N-[(2S)-1-(tert-butylamino)-1-oxopropan-2-yl]-4-(cyclopropylmethoxy)benzamide

C18H26N2O3 — CID 94811395

IUPACN-[(2S)-1-(tert-butylamino)-1-oxopropan-2-yl]-4-(cyclopropylmethoxy)benzamide
SMILESC[C@H](NC(=O)c1ccc(OCC2CC2)cc1)C(=O)NC(C)(C)C
InChIInChI=1S/C18H26N2O3/c1-12(16(21)20-18(2,3)4)19-17(22)14-7-9-15(10-8-14)23-11-13-5-6-13/h7-10,12-13H,5-6,11H2,1-4H3,(H,19,22)(H,20,21)/t12-/m0/s1
InChIKeyOJKBFBLCCDRPMN-LBPRGKRZSA-N
MW318.42 g/mol
LogP2.51
Rot. Bonds6

About N-[(2S)-1-(tert-butylamino)-1-oxopropan-2-yl]-4-(cyclopropylmethoxy)benzamide

N-[(2S)-1-(tert-butylamino)-1-oxopropan-2-yl]-4-(cyclopropylmethoxy)benzamide (PubChem CID 94811395) has the molecular formula C18H26N2O3 and a molecular weight of 318.42 g/mol. Its IUPAC name is N-[(2S)-1-(tert-butylamino)-1-oxopropan-2-yl]-4-(cyclopropylmethoxy)benzamide.

Molecular Properties

Compound NameN-[(2S)-1-(tert-butylamino)-1-oxopropan-2-yl]-4-(cyclopropylmethoxy)benzamide
PubChem CID94811395
Molecular FormulaC18H26N2O3
Molecular Weight318.42 g/mol
Exact Mass318.19
IUPAC NameN-[(2S)-1-(tert-butylamino)-1-oxopropan-2-yl]-4-(cyclopropylmethoxy)benzamide
SMILESC[C@H](NC(=O)c1ccc(OCC2CC2)cc1)C(=O)NC(C)(C)C
InChIInChI=1S/C18H26N2O3/c1-12(16(21)20-18(2,3)4)19-17(22)14-7-9-15(10-8-14)23-11-13-5-6-13/h7-10,12-13H,5-6,11H2,1-4H3,(H,19,22)(H,20,21)/t12-/m0/s1
InChIKeyOJKBFBLCCDRPMN-LBPRGKRZSA-N
XLogP2.51
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[(2S)-1-(tert-butylamino)-1-oxopropan-2-yl]-4-(cyclopropylmethoxy)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(cyclopropylmethoxy)-N-[(2S)-1-hydroxy-2,3-dimethylbutan-2-yl]benzamide
CID 129418432
2-[[4-(cyclopropylmethoxy)benzoyl]amino]butanoic acid
CID 119223456
4-(cyclopropylmethoxy)-N-(3-hydroxy-4-methylpentyl)benzamide
CID 111461405
4-(cyclopropylmethoxy)-N-ethylbenzamide
CID 60572461
4-[[1-(2-methylpropanoyl)piperidin-4-yl]methoxy]-N-propan-2-ylbenzamide
CID 53150582
4-(cyclopropylmethoxy)-N-(1-piperidin-1-ylpropan-2-yl)benzamide
CID 60571522
4-(cyclopropylmethoxy)-N-ethoxybenzamide
CID 60572474
4-[[(3S)-1-acetylpiperidin-3-yl]methoxy]-N-propan-2-ylbenzamide
CID 95097994
4-(cyclopropylmethoxy)-N-[(2R)-2-(ethylamino)propyl]benzamide;hydrochloride
CID 120654846
2-[4-[[1-(tert-butylamino)-1-oxopropan-2-yl]carbamoyl]-2-ethoxyphenoxy]acetic acid
CID 119182578
4-[[1-(4-methylbenzoyl)piperidin-4-yl]methoxy]-N-propan-2-ylbenzamide
CID 53150590
2-[[4-(cyclopropylmethoxy)benzoyl]amino]acetic acid
CID 66812671

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-(tert-butylamino)-1-oxopropan-2-yl]-4-(cyclopropylmethoxy)benzamide?
The IUPAC name of N-[(2S)-1-(tert-butylamino)-1-oxopropan-2-yl]-4-(cyclopropylmethoxy)benzamide (CID 94811395) is N-[(2S)-1-(tert-butylamino)-1-oxopropan-2-yl]-4-(cyclopropylmethoxy)benzamide.
What is the SMILES notation for N-[(2S)-1-(tert-butylamino)-1-oxopropan-2-yl]-4-(cyclopropylmethoxy)benzamide?
The canonical SMILES for N-[(2S)-1-(tert-butylamino)-1-oxopropan-2-yl]-4-(cyclopropylmethoxy)benzamide is C[C@H](NC(=O)c1ccc(OCC2CC2)cc1)C(=O)NC(C)(C)C.
What is the InChIKey of N-[(2S)-1-(tert-butylamino)-1-oxopropan-2-yl]-4-(cyclopropylmethoxy)benzamide?
The InChIKey is OJKBFBLCCDRPMN-LBPRGKRZSA-N. The full InChI is InChI=1S/C18H26N2O3/c1-12(16(21)20-18(2,3)4)19-17(22)14-7-9-15(10-8-14)23-11-13-5-6-13/h7-10,12-13H,5-6,11H2,1-4H3,(H,19,22)(H,20,21)/t12-/m0/s1.
What are the key properties of N-[(2S)-1-(tert-butylamino)-1-oxopropan-2-yl]-4-(cyclopropylmethoxy)benzamide?
N-[(2S)-1-(tert-butylamino)-1-oxopropan-2-yl]-4-(cyclopropylmethoxy)benzamide has a molecular weight of 318.42 g/mol, XLogP of 2.51, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-(tert-butylamino)-1-oxopropan-2-yl]-4-(cyclopropylmethoxy)benzamide is sourced from PubChem (CID 94811395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).