N-[(1-hydroxycyclopentyl)methyl]-3-methyl-2-(5-phenyltetrazol-2-yl)butanamide

C18H25N5O2 — CID 111333121

IUPACN-[(1-hydroxycyclopentyl)methyl]-3-methyl-2-(5-phenyltetrazol-2-yl)butanamide
SMILESCC(C)C(C(=O)NCC1(O)CCCC1)n1nnc(-c2ccccc2)n1
InChIInChI=1S/C18H25N5O2/c1-13(2)15(17(24)19-12-18(25)10-6-7-11-18)23-21-16(20-22-23)14-8-4-3-5-9-14/h3-5,8-9,13,15,25H,6-7,10-12H2,1-2H3,(H,19,24)
InChIKeyHELOFTLVSUUTSQ-UHFFFAOYSA-N
MW343.43 g/mol
LogP1.96
Rot. Bonds6

About N-[(1-hydroxycyclopentyl)methyl]-3-methyl-2-(5-phenyltetrazol-2-yl)butanamide

N-[(1-hydroxycyclopentyl)methyl]-3-methyl-2-(5-phenyltetrazol-2-yl)butanamide (PubChem CID 111333121) has the molecular formula C18H25N5O2 and a molecular weight of 343.43 g/mol. Its IUPAC name is N-[(1-hydroxycyclopentyl)methyl]-3-methyl-2-(5-phenyltetrazol-2-yl)butanamide.

Molecular Properties

Compound NameN-[(1-hydroxycyclopentyl)methyl]-3-methyl-2-(5-phenyltetrazol-2-yl)butanamide
PubChem CID111333121
Molecular FormulaC18H25N5O2
Molecular Weight343.43 g/mol
Exact Mass343.20
IUPAC NameN-[(1-hydroxycyclopentyl)methyl]-3-methyl-2-(5-phenyltetrazol-2-yl)butanamide
SMILESCC(C)C(C(=O)NCC1(O)CCCC1)n1nnc(-c2ccccc2)n1
InChIInChI=1S/C18H25N5O2/c1-13(2)15(17(24)19-12-18(25)10-6-7-11-18)23-21-16(20-22-23)14-8-4-3-5-9-14/h3-5,8-9,13,15,25H,6-7,10-12H2,1-2H3,(H,19,24)
InChIKeyHELOFTLVSUUTSQ-UHFFFAOYSA-N
XLogP1.96
TPSA92.93 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-(ethylamino)ethyl]-3-methyl-2-(5-phenyltetrazol-2-yl)butanamide
CID 119505106
N-[(1-hydroxycyclohexyl)methyl]-2-(5-phenyltetrazol-2-yl)acetamide
CID 111445934
(2S)-3-methyl-N-(3-methylcyclobutyl)-2-(5-phenyltetrazol-2-yl)butanamide
CID 97319224
N-[1-(aminomethyl)cyclopentyl]-2-(5-phenyltetrazol-2-yl)propanamide
CID 119568560
3-methyl-N-[(1-methylbenzimidazol-2-yl)methyl]-2-(5-phenyltetrazol-2-yl)butanamide
CID 60567231
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-(5-phenyltetrazol-2-yl)propanamide
CID 120889053
3-methyl-2-(5-phenyltetrazol-2-yl)-N-piperidin-4-ylbutanamide
CID 119386255
N-[3-(methylamino)propyl]-2-(5-phenyltetrazol-2-yl)propanamide
CID 119434349
2-[methyl-[3-methyl-2-(5-phenyltetrazol-2-yl)butanoyl]amino]acetic acid
CID 119346239
(2S)-3-methyl-2-(5-phenyltetrazol-2-yl)-N-(1,3,4-thiadiazol-2-yl)butanamide
CID 94638623
methyl 3-(5-phenyltetrazol-2-yl)butanoate
CID 43536415
N-[2-(methylamino)ethyl]-2-(5-phenyltetrazol-2-yl)propanamide;hydrochloride
CID 119504464

Frequently Asked Questions

What is the IUPAC name of N-[(1-hydroxycyclopentyl)methyl]-3-methyl-2-(5-phenyltetrazol-2-yl)butanamide?
The IUPAC name of N-[(1-hydroxycyclopentyl)methyl]-3-methyl-2-(5-phenyltetrazol-2-yl)butanamide (CID 111333121) is N-[(1-hydroxycyclopentyl)methyl]-3-methyl-2-(5-phenyltetrazol-2-yl)butanamide.
What is the SMILES notation for N-[(1-hydroxycyclopentyl)methyl]-3-methyl-2-(5-phenyltetrazol-2-yl)butanamide?
The canonical SMILES for N-[(1-hydroxycyclopentyl)methyl]-3-methyl-2-(5-phenyltetrazol-2-yl)butanamide is CC(C)C(C(=O)NCC1(O)CCCC1)n1nnc(-c2ccccc2)n1.
What is the InChIKey of N-[(1-hydroxycyclopentyl)methyl]-3-methyl-2-(5-phenyltetrazol-2-yl)butanamide?
The InChIKey is HELOFTLVSUUTSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N5O2/c1-13(2)15(17(24)19-12-18(25)10-6-7-11-18)23-21-16(20-22-23)14-8-4-3-5-9-14/h3-5,8-9,13,15,25H,6-7,10-12H2,1-2H3,(H,19,24).
What are the key properties of N-[(1-hydroxycyclopentyl)methyl]-3-methyl-2-(5-phenyltetrazol-2-yl)butanamide?
N-[(1-hydroxycyclopentyl)methyl]-3-methyl-2-(5-phenyltetrazol-2-yl)butanamide has a molecular weight of 343.43 g/mol, XLogP of 1.96, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-hydroxycyclopentyl)methyl]-3-methyl-2-(5-phenyltetrazol-2-yl)butanamide is sourced from PubChem (CID 111333121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).